Geometry & MOs

Info

ID:	440078
PubChem CID:	135229963
Reduced:	NH55C79 (1)
Stoich.:	AB55C79 (1)
Weight, g/mol:	141.126598
ΔH_f, kcal/mol:	293.29
Dipole, Da:	1.32
IP(EA), eV:	-7.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(methyldiazenyl)pent-1-en-2-amine

Drug info:

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC(=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=C(CC2=C9C=CC3=CC=CC=C23)C2=CC=CC=C2C=C1)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations