Geometry & MOs

Info

ID:	255972
PubChem CID:	103136000
Reduced:	SN2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	73.82
Dipole, Da:	1.84
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-isoquinolin-8-yl-2,2-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CSC=C1C(C2=CC=CC3=C2C=NC=C3)NC

DOS

IR

Vibrations