Geometry & MOs

Info

ID:	345339
PubChem CID:	127269615
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	2.26
IP(EA), eV:	-8.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations