Geometry & MOs

Info

ID:	27999
PubChem CID:	824720
Reduced:	OSN2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	5.27
IP(EA), eV:	-8.91(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[(1R)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CSC2(CCCCC2)O

DOS

IR

Vibrations