Geometry & MOs

Info

ID:	175480
PubChem CID:	75909906
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	457.176834
ΔH_f, kcal/mol:	-184.19
Dipole, Da:	4.67
IP(EA), eV:	-8.23(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3CCCN(C3)C(=O)CCOC4=CC=CC=C4

DOS

IR

Vibrations