Geometry & MOs

Info

ID:	73327
PubChem CID:	48417439
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	4.71
Dipole, Da:	5.23
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations