Geometry & MOs

Info

ID:	206337
PubChem CID:	80232862
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	2.68
IP(EA), eV:	-8.3(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=C(C=C(C=C1)C)C(=O)NCC2=C(C=CS2)C

DOS

IR

Vibrations