Geometry & MOs

Info

ID:	329763
PubChem CID:	127246630
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	337.065176
ΔH_f, kcal/mol:	24.56
Dipole, Da:	8.23
IP(EA), eV:	-9.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=C4C(=NOC4=NC(=C3)C)C

DOS

IR

Vibrations