Geometry & MOs

Info

ID:	186402
PubChem CID:	77427115
Reduced:	ClNO3C18H26 (1)
Stoich.:	ABC3D18E26 (1)
Weight, g/mol:	417.05105
ΔH_f, kcal/mol:	-136.79
Dipole, Da:	4.97
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-(4-prop-1-en-2-ylphenyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=O)C(CCNC(CO)C1CCOCC1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations