Geometry & MOs

Info

ID:	354497
PubChem CID:	127287046
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	3.8
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-morpholin-4-ylethyl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NC2CCCOC3=CC=CC=C23

DOS

IR

Vibrations