Geometry & MOs

Info

ID:	136207
PubChem CID:	51998402
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-28.52
Dipole, Da:	8.83
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC(=NN1C2=CC=CC=C2)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations