Geometry & MOs

Info

ID:	152006
PubChem CID:	56310845
Reduced:	FN2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	409.166938
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	0.94
IP(EA), eV:	-8.84(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NCCOC3=CC=C(C=C3)F

DOS

IR

Vibrations