Geometry & MOs

Info

ID:	307115
PubChem CID:	125267683
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	13.52
IP(EA), eV:	-8.31(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R,9aR)-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

CN1CCC2=C3C=CC=CC3=N[C@@H]2[C@H]1C4=C(N(C(=O)NC4=O)C5=CC=C(C=C5)OC)O

DOS

IR

Vibrations