Geometry & MOs

Info

ID:	174740
PubChem CID:	75807207
Reduced:	N3O3C22H28 (1)
Stoich.:	A3B3C22D28 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	3.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753603
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations