Geometry & MOs

Info

ID:	342950
PubChem CID:	127266113
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-46.32
Dipole, Da:	5.5
IP(EA), eV:	-9.21(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-cyanoanilino)acetyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NC2(CCOCC2)C3=NC(=NO3)C4CC4

DOS

IR

Vibrations