Geometry & MOs

Info

ID:	338161
PubChem CID:	127258853
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	7.3
IP(EA), eV:	-9.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl) N-[4-[bis(prop-2-enyl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CCCCNC(=O)OC1=C(C=C(C=C1)/C=C(\C)/[N+](=O)[O-])Cl

DOS

IR

Vibrations