Geometry & MOs

Info

ID:	257357
PubChem CID:	103145445
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	9.8
IP(EA), eV:	-9.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)[C@@H]2CCCN2

DOS

IR

Vibrations