Geometry & MOs

Info

ID:	358134
PubChem CID:	127295679
Reduced:	F2O2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-186.39
Dipole, Da:	3.29
IP(EA), eV:	-9.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations