Geometry & MOs

Info

ID:	370240
PubChem CID:	127337907
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	13.91
Dipole, Da:	5.88
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N(C)C(C)C3=CC=CS3

DOS

IR

Vibrations