Geometry & MOs

Info

ID:	187316
PubChem CID:	77558234
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	3.79
IP(EA), eV:	-8.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)OC(C)(C)C)C(=O)NC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations