Geometry & MOs

Info

ID:	355082
PubChem CID:	127287943
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	5.84
IP(EA), eV:	-9.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=C(C(=N2)C)CN(C)C(=O)[C@H]3CCC(=O)N3)C

DOS

IR

Vibrations