Geometry & MOs

Info

ID:	187645
PubChem CID:	77602957
Reduced:	ClO2N7H20C23 (1)
Stoich.:	AB2C7D20E23 (1)
Weight, g/mol:	474.251858
ΔH_f, kcal/mol:	45.14
Dipole, Da:	5.83
IP(EA), eV:	-9.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylamino)-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C1=NC(=C2C(=C1)C=CC=C2Cl)C(=O)N3CCOCC3)NC4=NC=NC5=C4C(=CN5)C#N

DOS

IR

Vibrations