Geometry & MOs

Info

ID:	184035
PubChem CID:	77102895
Reduced:	IN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	5.43
IP(EA), eV:	-10.31(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-bromo-4-(methylamino)-6-propyl-5H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1CCC(C1)C2=NC(=O)C(C(=O)N2)I

DOS

IR

Vibrations