Geometry & MOs

Info

ID:	74749
PubChem CID:	48422398
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	2.74
IP(EA), eV:	-9.54(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=CC=C1)Cl)OCC2CC2

DOS

IR

Vibrations