Geometry & MOs

Info

ID:	225287
PubChem CID:	85753307
Reduced:	SO8N16C34H62 (1)
Stoich.:	AB8C16D34E62 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-346.36
Dipole, Da:	7.07
IP(EA), eV:	-9.09(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethoxy-6-methyl-2-(2-phenylethenyl)pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations