Geometry & MOs

Info

ID:	70994
PubChem CID:	48414154
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	5.46
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4

DOS

IR

Vibrations