Geometry & MOs

Info

ID:	81662
PubChem CID:	49854980
Reduced:	SN2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	62.74
Dipole, Da:	4.5
IP(EA), eV:	-7.83(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-4-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-5,6-dione

Drug info:

PubChemData

Smile

CN1CC[C@@H]2[C@@H](C1)C3=C4N2C5=CC=CC=C5CSC4=CC=C3

DOS

IR

Vibrations