Geometry & MOs

Info

ID:	419659
PubChem CID:	135108674
Reduced:	SN2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	75.41
Dipole, Da:	1.83
IP(EA), eV:	-8.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-2,5-diphenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)SC)NCCC3=NN=C(S3)C

DOS

IR

Vibrations