Geometry & MOs

Info

ID:	73616
PubChem CID:	48419512
Reduced:	SN4O4C16H18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-20.95
Dipole, Da:	5.23
IP(EA), eV:	-9.33(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)CS(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations