Geometry & MOs

Info

ID:	255614
PubChem CID:	103133417
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	-66.79
Dipole, Da:	1.95
IP(EA), eV:	-8.91(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)phenyl]-1-isoquinolin-8-ylethanone

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC=C2CNC3CC3)C

DOS

IR

Vibrations