Geometry & MOs

Info

ID:	284319
PubChem CID:	104042946
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	2.05
IP(EA), eV:	-9.26(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-hydroxypyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCOC1C(=O)N2CCC3=CC=CC=C3C2CN

DOS

IR

Vibrations