Geometry & MOs

Info

ID:	221528
PubChem CID:	85273831
Reduced:	ON3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	315.123736
ΔH_f, kcal/mol:	95.95
Dipole, Da:	2.75
IP(EA), eV:	-8.45(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-oxo-4-(4-oxo-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CC(=C3C=CC=CC3=O)N2)C4=CC=NC=C4

DOS

IR

Vibrations