Geometry & MOs

Info

ID:	54672
PubChem CID:	17389079
Reduced:	BrO2N3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	423.15214
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	15.53
IP(EA), eV:	-8.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl-[3-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)propyl]-diethylazanium;bromide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1CC[N+](C)(C)CC2=CC=CC=C2)C.[Br-]

DOS

IR

Vibrations