Geometry & MOs

Info

ID:	257358
PubChem CID:	103145450
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	8.04
IP(EA), eV:	-9.39(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-cyclopropyl-N-(2,5-dimethyl-4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations