Geometry & MOs

Info

ID:	247612
PubChem CID:	103072399
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	-44.63
Dipole, Da:	2.0
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-(methylaminomethyl)prop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(NC1=O)CC(=C)CNC)C

DOS

IR

Vibrations