Geometry & MOs

Info

ID:	176313
PubChem CID:	76032087
Reduced:	SN2O2C12H13 (2)
Stoich.:	AB2C2D12E13 (2)
Weight, g/mol:	375.180758
ΔH_f, kcal/mol:	-113.98
Dipole, Da:	6.22
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-(2,3-dimethyl-1H-pyrazol-5-ylidene)-8-methyl-7,8-dihydroimidazo[2,1-f]purin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=CC(=C2)NC(=O)CC3=CSC(=N3)N)C(=O)NC(CCSC)C(=O)O

DOS

IR

Vibrations