Geometry & MOs

Info

ID:	331596
PubChem CID:	127249003
Reduced:	SN2O4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-146.06
Dipole, Da:	5.74
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)COC(C)C)O)COC3=CC=CC=C3

DOS

IR

Vibrations