Geometry & MOs

Info

ID:	357924
PubChem CID:	127295424
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	389.247855
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	3.89
IP(EA), eV:	-9.19(-0.62)
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)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)Cl)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations