Geometry & MOs

Info

ID:	322445
PubChem CID:	126670179
Reduced:	N2O3C28H32 (1)
Stoich.:	A2B3C28D32 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	4.32
IP(EA), eV:	-8.92(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinoline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NC3=C2CCCC3)C(C)N[C@H](C)C4=CC(=CC=C4)OC)C(=O)O

DOS

IR

Vibrations