Geometry & MOs

Info

ID:	307114
PubChem CID:	125267680
Reduced:	ON2H28C36 (1)
Stoich.:	AB2C28D36 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	173.81
Dipole, Da:	4.84
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R,9aS)-2-methyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=C3C=CC=CC3=N[C@H]2C4=CC=CC=C4)C5=C6C=CC=CC6=N[C@H]5C7=CC=CC=C7

DOS

IR

Vibrations