Geometry & MOs

Info

ID:	358263
PubChem CID:	127295808
Reduced:	F2O2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-189.46
Dipole, Da:	5.18
IP(EA), eV:	-9.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(3-methylphenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCCC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations