Geometry & MOs

Info

ID:	184037
PubChem CID:	77103215
Reduced:	ION3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	335.02694
ΔH_f, kcal/mol:	25.94
Dipole, Da:	7.86
IP(EA), eV:	-8.31(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-5-bromo-6-cyclopropyl-5H-pyrimidin-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCC1=NC(=C2C=C(C(=O)C(=C2)C)C)N=C(C1I)N

DOS

IR

Vibrations