Geometry & MOs

Info

ID:	369760
PubChem CID:	127335232
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-99.14
Dipole, Da:	4.41
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CC(=O)N(C3)CCOC

DOS

IR

Vibrations