Geometry & MOs

Info

ID:	362783
PubChem CID:	127309331
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-115.89
Dipole, Da:	2.46
IP(EA), eV:	-8.84(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrrolidine-1-carbonyl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)NC2CCCOC3=CC=CC=C23

DOS

IR

Vibrations