Geometry & MOs

Info

ID:	138468
PubChem CID:	52370495
Reduced:	FNOC5H7 (3)
Stoich.:	ABCD5E7 (3)
Weight, g/mol:	347.145676
ΔH_f, kcal/mol:	-265.93
Dipole, Da:	5.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782940
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(F)(F)F)C)C[NH+](C)CC(=O)NC(=O)N

DOS

IR

Vibrations