Geometry & MOs

Info

ID:	154330
PubChem CID:	56313746
Reduced:	OF3N4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	428.157244
ΔH_f, kcal/mol:	-160.48
Dipole, Da:	5.21
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(benzimidazol-1-yl)pyridin-3-yl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCC2=CC(=CC=C2)CN3CCCCCC3)C(F)(F)F

DOS

IR

Vibrations