Geometry & MOs

Info

ID:	328928
PubChem CID:	126729269
Reduced:	O2N3H25C36 (1)
Stoich.:	A2B3C25D36 (1)
Weight, g/mol:	532.215078
ΔH_f, kcal/mol:	108.27
Dipole, Da:	2.33
IP(EA), eV:	-8.67(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(7,7-dimethyl-[1]benzofuro[3,2-c]xanthen-10-yl)-2,4-diphenyl-1,4-dihydropyrimidine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(C=C2)C4=CC=CC=C4O3)OC5=C1C=C(C=C5)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C

DOS

IR

Vibrations