Geometry & MOs

Info

ID:	257359
PubChem CID:	103145460
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	6.93
IP(EA), eV:	-9.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-(2,5-dimethyl-4-nitrophenyl)hexanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C(C)(C2CC2)N

DOS

IR

Vibrations