Geometry & MOs

Info

ID:	76250
PubChem CID:	48424666
Reduced:	ClNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	364.15537
ΔH_f, kcal/mol:	-72.4
Dipole, Da:	3.25
IP(EA), eV:	-9.3(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CC2=CC=CC=C2Cl)OCC3CC3

DOS

IR

Vibrations