Geometry & MOs

Info

ID:	76336
PubChem CID:	48424794
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-163.92
Dipole, Da:	1.77
IP(EA), eV:	-9.48(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2CCOC2

DOS

IR

Vibrations