Geometry & MOs

Info

ID:	160845
PubChem CID:	57389966
Reduced:	O2N7C25H29 (1)
Stoich.:	A2B7C25D29 (1)
Weight, g/mol:	455.168143
ΔH_f, kcal/mol:	27.07
Dipole, Da:	5.64
IP(EA), eV:	-8.27(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-difluoroethyl)-N-[2-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C=CC3=CN=C(N=C32)OC4=CC=C(C=C4)N5CCN(CC5)C)C(=N1)C(=O)N

DOS

IR

Vibrations