Geometry & MOs

Info

ID:	203334
PubChem CID:	79814425
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	8.52
IP(EA), eV:	-9.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[4-(cyanomethoxy)phenyl]-2-ethylbutanamide

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-])N

DOS

IR

Vibrations