Geometry & MOs

Info

ID:	255987
PubChem CID:	103136090
Reduced:	SN3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	286.15037
ΔH_f, kcal/mol:	78.22
Dipole, Da:	2.82
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-2-(thian-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations