Geometry & MOs

Info

ID:	60969
PubChem CID:	26703738
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	38.63
Dipole, Da:	5.49
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-N-[(2S)-2-phenylbutyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)C1=CN(N=C1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations