Geometry & MOs

Info

ID:	257073
PubChem CID:	103143554
Reduced:	SN3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	360.02958
ΔH_f, kcal/mol:	68.6
Dipole, Da:	2.42
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CSC(=N1)C)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations