Geometry & MOs

Info

ID:	179024
PubChem CID:	76422107
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	371.206973
ΔH_f, kcal/mol:	64.83
Dipole, Da:	10.79
IP(EA), eV:	-10.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(benzotriazol-1-yl)propanoyl]-2-(dimethylamino)-1,2,3,4a,5,6,8,8a-octahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC2CC1C3C2CN(C3)C(=O)CN4C=NN=N4

DOS

IR

Vibrations