Geometry & MOs

Info

ID:	191719
PubChem CID:	78181251
Reduced:	BrPC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	15.26
IP(EA), eV:	-7.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-6-ethoxy-3-methyl-1,3,9-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6-diene-2,4,8-trione

Drug info:

PubChemData

Smile

CC1CC[P+](C1)(C)C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations