Geometry & MOs

Info

ID:	257122
PubChem CID:	103143911
Reduced:	NH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	240.07212
ΔH_f, kcal/mol:	60.17
Dipole, Da:	3.89
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-isoquinolin-8-ylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations