Geometry & MOs

Info

ID:	141251
PubChem CID:	52846888
Reduced:	FO2N5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	419.175753
ΔH_f, kcal/mol:	-14.32
Dipole, Da:	5.0
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)CNC(=O)C3=NN([C@@H](C3)C(=O)C)C4=CC=CC=C4)F

DOS

IR

Vibrations