Geometry & MOs

Info

ID:	369752
PubChem CID:	127335214
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-77.81
Dipole, Da:	7.72
IP(EA), eV:	-8.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)CN3C(=O)C(NC3=O)(C)C4CC4

DOS

IR

Vibrations