Geometry & MOs

Info

ID:	415185
PubChem CID:	135088176
Reduced:	OS2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	47.42
Dipole, Da:	9.43
IP(EA), eV:	-8.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-3-yl-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)SC)N(C)CC3=NC(=O)C4=C(N3)C=CS4

DOS

IR

Vibrations