Geometry & MOs

Info

ID:	358233
PubChem CID:	127295778
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	389.247855
ΔH_f, kcal/mol:	-135.46
Dipole, Da:	3.2
IP(EA), eV:	-8.92(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations