Geometry & MOs

Info

ID:	231766
PubChem CID:	87574619
Reduced:	N2O2C5H13 (1)
Stoich.:	A2B2C5D13 (1)
Weight, g/mol:	237.209264
ΔH_f, kcal/mol:	0.97
Dipole, Da:	13.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762537
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-N-(2-methylbutyl)deca-2,4-dienamide

Drug info:

PubChemData

Smile

C[N+](C)(C)CCON=O

DOS

IR

Vibrations