Geometry & MOs

Info

ID:	170201
PubChem CID:	75206149
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	4.01
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2-methoxy-4-prop-1-enylphenoxy)ethanone

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1)NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations