Geometry & MOs

Info

ID:	357900
PubChem CID:	127295400
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	389.247855
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	4.19
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCCN(CC3)C(=O)CC4CCCC4)C=C1

DOS

IR

Vibrations