Geometry & MOs

Info

ID:	125033
PubChem CID:	50907700
Reduced:	ON2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	422.13789
ΔH_f, kcal/mol:	37.11
Dipole, Da:	7.28
IP(EA), eV:	-9.05(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-(4-phenoxyphenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N3C=C(C=NC3=N2)C(=O)O)NC4=CC=CC=C4

DOS

IR

Vibrations