Geometry & MOs

Info

ID:	327476
PubChem CID:	126690051
Reduced:	OSN8C18H20 (1)
Stoich.:	ABC8D18E20 (1)
Weight, g/mol:	235.98105
ΔH_f, kcal/mol:	101.46
Dipole, Da:	8.63
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z)-1-iodo-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(=N2)N3CCC(C3)NC=O)N(C)C4=NC=C(S4)C#N

DOS

IR

Vibrations