Geometry & MOs

Info

ID:	188266
PubChem CID:	77691501
Reduced:	ClN2O6C27H27 (1)
Stoich.:	AB2C6D27E27 (1)
Weight, g/mol:	464.150285
ΔH_f, kcal/mol:	-203.71
Dipole, Da:	1.53
IP(EA), eV:	-9.27(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[7-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)NC1=CC(=CC(=C1)C(=O)O)OC2=CC3=C(CCC(C3)NCC(C4=CC=C(C=C4)Cl)O)C=C2

DOS

IR

Vibrations