Geometry & MOs

Info

ID:	233205
PubChem CID:	89449276
Reduced:	ClN2O3H27C30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	378.146724
ΔH_f, kcal/mol:	-13.72
Dipole, Da:	5.76
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)phenyl]-2,2-bis(4-methoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2Cl)C3=CC4=C(C=C3)C5=C(CC4)C=C(C=C5)C6CC6

DOS

IR

Vibrations