Geometry & MOs

Info

ID:	152740
PubChem CID:	56311799
Reduced:	FO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	373.252941
ΔH_f, kcal/mol:	-54.06
Dipole, Da:	3.06
IP(EA), eV:	-8.89(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CCN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations