Geometry & MOs

Info

ID:	184036
PubChem CID:	77103214
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	383.04946
ΔH_f, kcal/mol:	29.21
Dipole, Da:	11.48
IP(EA), eV:	-8.59(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=C2C=CC(=O)C=C2)N=C(C1Br)NC

DOS

IR

Vibrations