Geometry & MOs

Info

ID:	352946
PubChem CID:	127284037
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-65.37
Dipole, Da:	3.71
IP(EA), eV:	-9.28(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-(1-ethylpiperidin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)C(C3=CC=CC=C3)N4CCC(CC4)O

DOS

IR

Vibrations