Geometry & MOs

Info

ID:	329422
PubChem CID:	126736546
Reduced:	O3N6C34H46 (1)
Stoich.:	A3B6C34D46 (1)
Weight, g/mol:	382.214409
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	6.43
IP(EA), eV:	-8.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-tert-butyl-5-[4-tert-butyl-2-(carboxymethyl)phenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCC1CC(CCO1)NC2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CN=C(C=C4)CN5CCN(CC5)C

DOS

IR

Vibrations