Geometry & MOs

Info

ID:	160846
PubChem CID:	57389967
Reduced:	OF3N7H20C22 (1)
Stoich.:	AB3C7D20E22 (1)
Weight, g/mol:	435.157436
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	2.91
IP(EA), eV:	-9.17(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(5-chloropyridin-2-yl)pyrazol-1-yl]ethyl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N(CCN3C=CC(=N3)C4=NC=C(C=C4)F)CC(F)F

DOS

IR

Vibrations