Geometry & MOs

Info

ID:	174142
PubChem CID:	75730274
Reduced:	ON3C19H32 (1)
Stoich.:	AB3C19D32 (1)
Weight, g/mol:	344.171162
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752865
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[formyl(propyl)amino]-2-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CCCC2=CC3CC(C21)C[NH+]4C3CCCC4

DOS

IR

Vibrations