Geometry & MOs

Info

ID:	329749
PubChem CID:	127246616
Reduced:	N5C20H21 (1)
Stoich.:	A5B20C21 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	98.06
Dipole, Da:	4.95
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)CC3=CN=C(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations