Geometry & MOs

Info

ID:	169625
PubChem CID:	75127711
Reduced:	BrN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	368.105833
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	5.49
IP(EA), eV:	-9.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichlorophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CCCNC(=O)C=CC2=CC=CC=C2Br

DOS

IR

Vibrations