Geometry & MOs

Info

ID:	368806
PubChem CID:	127330194
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	381.137179
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	2.59
IP(EA), eV:	-8.63(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4CCN(C4=O)C5=CN(N=C5)C)C

DOS

IR

Vibrations