Geometry & MOs

Info

ID:	255960
PubChem CID:	103135917
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	2.27
IP(EA), eV:	-8.87(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC=C1)C(C)CC2CCC(O2)C

DOS

IR

Vibrations