Geometry & MOs

Info

ID:	121185
PubChem CID:	50758018
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-98.86
Dipole, Da:	3.32
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)CN1C(=O)CCCC2=CC=CC=C21)C3CCCCC3

DOS

IR

Vibrations