Geometry & MOs

Info

ID:	442827
PubChem CID:	135256450
Reduced:	N4O5C31H36 (1)
Stoich.:	A4B5C31D36 (1)
Weight, g/mol:	166.146999
ΔH_f, kcal/mol:	-160.82
Dipole, Da:	3.29
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(1Z,3Z)-7-methylocta-1,3-dienyl]methanimidamide

Drug info:

PubChemData

Smile

C[C@H](C=C)C(=O)NC1=C(C=CC(=C1)NC(=O)OC)C2=CC(=NC3=CC=CC=C32)[C@H](CC=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations