Geometry & MOs

Info

ID:	200270
PubChem CID:	79374900
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	4.29
IP(EA), eV:	-8.86(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-bromoanilino)ethyl]-2-methoxy-6-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCCN2C(=O)C=C(N=C2OC)C

DOS

IR

Vibrations