Geometry & MOs

Info

ID:	257330
PubChem CID:	103145322
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	8.3
IP(EA), eV:	-9.51(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2,5-dimethyl-4-nitrophenyl)-2-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)CC2CCNC2

DOS

IR

Vibrations