Geometry & MOs

Info

ID:	281515
PubChem CID:	103913980
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-42.33
Dipole, Da:	3.91
IP(EA), eV:	-9.76(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations