Geometry & MOs

Info

ID:	192838
PubChem CID:	78319053
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-136.86
Dipole, Da:	4.62
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations