Geometry & MOs

Info

ID:	203305
PubChem CID:	79811245
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	291.083076
ΔH_f, kcal/mol:	-59.4
Dipole, Da:	2.8
IP(EA), eV:	-8.94(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3,3-trifluoro-2-methyl-N-[(2-nitrophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCC(C)(C(=O)NC(C)CC1=CC=C(S1)C)N

DOS

IR

Vibrations