Geometry & MOs

Info

ID:	442740
PubChem CID:	135256017
Reduced:	O2N5H53C91 (1)
Stoich.:	A2B5C53D91 (1)
Weight, g/mol:	178.121846
ΔH_f, kcal/mol:	404.28
Dipole, Da:	2.48
IP(EA), eV:	-8.32(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(aminodiazenyl)methyl]-6-propan-2-ylpyridine

Drug info:

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)OC8=CC9=CC=CC=C9C=C87)C1=CC=CC(=C1)C1=CC=CC2=CC3=C(C=C21)OC1=C3C=C(C=C1)C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations