Geometry & MOs

Info

ID:	175614
PubChem CID:	75927815
Reduced:	N3O3C22H24 (1)
Stoich.:	A3B3C22D24 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	2.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771400
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC([NH+](C1)CC2=CC=CC=C2OC3=CN=CC=C3)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations