Geometry & MOs

Info

ID:	55762
PubChem CID:	17396466
Reduced:	ClO2N7C23H28 (1)
Stoich.:	AB2C7D23E28 (1)
Weight, g/mol:	454.236876
ΔH_f, kcal/mol:	12.57
Dipole, Da:	8.68
IP(EA), eV:	-8.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations