Geometry & MOs

Info

ID:	349563
PubChem CID:	127275450
Reduced:	FN3O3C21H32 (1)
Stoich.:	AB3C3D21E32 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-170.54
Dipole, Da:	3.26
IP(EA), eV:	-9.06(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-phenylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)N1CCOC(C1)C2=CC(=CC=C2)F)N3CCOCC3

DOS

IR

Vibrations