Geometry & MOs

Info

ID:	322444
PubChem CID:	126670177
Reduced:	N2O2C31H32 (1)
Stoich.:	A2B2C31D32 (1)
Weight, g/mol:	444.241293
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	1.3
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]-5,6,7,8-tetrahydroquinolin-4-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C3CCCCC3=NC(=C2)CN[C@H](C)C4=CC=CC5=CC=CC=C54)C(=O)OC

DOS

IR

Vibrations