Geometry & MOs

Info

ID:	62062
PubChem CID:	26717327
Reduced:	OCl2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	37.59
Dipole, Da:	5.05
IP(EA), eV:	-9.57(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-phenyl-N-[(2S)-2-phenylbutyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)/C=C/C2=NC3=CC=CC=C3N=C2

DOS

IR

Vibrations