Geometry & MOs

Info

ID:	151647
PubChem CID:	56260948
Reduced:	BrO2N5H16C17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	74.63
Dipole, Da:	4.14
IP(EA), eV:	-9.98(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxybenzoyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)C4CC4

DOS

IR

Vibrations