Geometry & MOs

Info

ID:	164583
PubChem CID:	74420323
Reduced:	FPN2O7C10H16 (1)
Stoich.:	ABC2D7E10F16 (1)
Weight, g/mol:	403.161995
ΔH_f, kcal/mol:	-429.22
Dipole, Da:	3.38
IP(EA), eV:	-10.35(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)F

DOS

IR

Vibrations