Geometry & MOs

Info

ID:	398010
PubChem CID:	135031348
Reduced:	NSO12C18H23 (1)
Stoich.:	ABC12D18E23 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-485.96
Dipole, Da:	2.51
IP(EA), eV:	-9.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-benzyl-4-phenyl-3,4,6,7-tetrahydro-1H-pyrazolo[1,2-a][1,2,4]triazin-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NO[C@]2(S1)C(C([C@@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations