Geometry & MOs

Info

ID:	433249
PubChem CID:	135173386
Reduced:	NC10H11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	390.191657
ΔH_f, kcal/mol:	178.83
Dipole, Da:	3.0
IP(EA), eV:	-8.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-7-[5-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CC1CC2=C(N3C1=C3C=C2)C

DOS

IR

Vibrations