Geometry & MOs

Info

ID:	192840
PubChem CID:	78319055
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	2.85
IP(EA), eV:	-8.82(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(2-ethoxy-5-methylpyridin-3-yl)piperidin-1-yl]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCCC(CC1)N2CCC(CC2)C3=C(N=CC=C3)C

DOS

IR

Vibrations