Geometry & MOs

Info

ID:	39917
PubChem CID:	8143202
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	358.13223
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	6.51
IP(EA), eV:	-9.34(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-chlorophenyl)methyl-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

COCCN(CC1=CC=C(C=C1)[N+](=O)[O-])CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations