Geometry & MOs

Info

ID:	313120
PubChem CID:	126612077
Reduced:	NOH33C49 (1)
Stoich.:	ABC33D49 (1)
Weight, g/mol:	112.100048
ΔH_f, kcal/mol:	181.59
Dipole, Da:	2.68
IP(EA), eV:	-7.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-N'-ethylbuta-1,3-diene-1,1-diamine

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=CC3=C(C=C2)OC4=C(N3C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C=C(C=C4)C1=CC=CC=C1

DOS

IR

Vibrations