Geometry & MOs

Info

ID:	155004
PubChem CID:	56314570
Reduced:	BrO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	3.17
IP(EA), eV:	-8.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-[ethyl(propyl)amino]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)Br)CN3CCCCC3

DOS

IR

Vibrations