Geometry & MOs

Info

ID:	257348
PubChem CID:	103145403
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	6.2
IP(EA), eV:	-9.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-4-(propan-2-ylamino)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations