Geometry & MOs

Info

ID:	196174
PubChem CID:	78793153
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-88.75
Dipole, Da:	5.75
IP(EA), eV:	-8.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NCC(=O)N(C)CC3=CC=CO3

DOS

IR

Vibrations