Geometry & MOs

Info

ID:	214179
PubChem CID:	81087255
Reduced:	FON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	4.58
IP(EA), eV:	-8.77(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-[(2-nitrophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CCC(CC(=O)N(C)C1=CC=C(C=C1)F)CN

DOS

IR

Vibrations