Geometry & MOs

Info

ID:	70877
PubChem CID:	48413988
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	1.8
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

DOS

IR

Vibrations