Geometry & MOs

Info

ID:	257347
PubChem CID:	103145401
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	6.92
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations