Geometry & MOs

Info

ID:	177364
PubChem CID:	76175293
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	282.032668
ΔH_f, kcal/mol:	-35.13
Dipole, Da:	5.17
IP(EA), eV:	-8.85(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-dichloro-5-propyl-5H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1CCCN1C(=O)CC2=CC=C(C=C2)C(=NO)N

DOS

IR

Vibrations