Geometry & MOs

Info

ID:	226331
PubChem CID:	87350424
Reduced:	SN2O4C9H18 (1)
Stoich.:	AB2C4D9E18 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	-194.88
Dipole, Da:	6.12
IP(EA), eV:	-9.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[1-(4-methoxyphenyl)propyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1(NC(C(=O)N1C)(C)CCS(=O)(=O)O)C

DOS

IR

Vibrations