Geometry & MOs

Info

ID:	357915
PubChem CID:	127295415
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	361.216555
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	3.38
IP(EA), eV:	-8.75(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3)Cl

DOS

IR

Vibrations