Geometry & MOs

Info

ID:	184172
PubChem CID:	77124275
Reduced:	BrOSN2C10H15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	421.94497
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	3.13
IP(EA), eV:	-8.88(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dichlorophenyl)methyl]-5-iodo-6-propyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1Br)CSCC(C)C

DOS

IR

Vibrations