Geometry & MOs

Info

ID:	184038
PubChem CID:	77103264
Reduced:	BrO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	333.04767
ΔH_f, kcal/mol:	23.44
Dipole, Da:	8.39
IP(EA), eV:	-8.25(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C2N=C(C(C(=N2)N)Br)C3CC3)C=CC1=O

DOS

IR

Vibrations