Geometry & MOs

Info

ID:	357916
PubChem CID:	127295416
Reduced:	FO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	5.25
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(3,5-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations