Geometry & MOs

Info

ID:	187315
PubChem CID:	77557468
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	9.67
Dipole, Da:	2.6
IP(EA), eV:	-8.56(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(1,4-diphenylpyrazol-3-yl)carbamoyl]-5-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CC=C1)(C(=O)N)N(C)C2=CSC=N2

DOS

IR

Vibrations