Geometry & MOs

Info

ID:	121180
PubChem CID:	50757983
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-63.65
Dipole, Da:	5.66
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-ethylpiperazin-1-yl)-1-oxobutan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1(CN2C3=CC=CC=C3N=C2C(=O)N1CC4=CC(=CC=C4)OC)C

DOS

IR

Vibrations