Geometry & MOs

Info

ID:	205233
PubChem CID:	80073150
Reduced:	O2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	4.47
Dipole, Da:	7.04
IP(EA), eV:	-10.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C2=NN=NN2C(C)CC(=O)O

DOS

IR

Vibrations