Geometry & MOs

Info

ID:	241944
PubChem CID:	96024738
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	32.49
Dipole, Da:	1.88
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=C(N=CN=C3C)C)C=C1)C

DOS

IR

Vibrations