Geometry & MOs

Info

ID:	370224
PubChem CID:	127337792
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	377.224932
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	4.68
IP(EA), eV:	-8.95(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations