Geometry & MOs

Info

ID:	192839
PubChem CID:	78319054
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-109.94
Dipole, Da:	4.02
IP(EA), eV:	-8.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(2-methylpyridin-3-yl)piperidin-1-yl]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCCC(CC1)N2CCC(CC2)C3=NC=CN=C3OC

DOS

IR

Vibrations