Geometry & MOs

Info

ID:	39797
PubChem CID:	8142335
Reduced:	NO4H23C25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	377.14495
ΔH_f, kcal/mol:	-79.09
Dipole, Da:	4.09
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations