Geometry & MOs

Info

ID:	196829
PubChem CID:	78884683
Reduced:	ClN2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-138.52
Dipole, Da:	2.87
IP(EA), eV:	-9.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]amino]-3-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N)NC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations