Geometry & MOs

Info

ID:	241943
PubChem CID:	96024736
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	5.49
IP(EA), eV:	-9.0(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4,6-dimethylpyrimidin-5-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CNCC(=O)O

DOS

IR

Vibrations