Geometry & MOs

Info

ID:	39920
PubChem CID:	8143213
Reduced:	N5O5H11C15 (1)
Stoich.:	A5B5C11D15 (1)
Weight, g/mol:	338.186852
ΔH_f, kcal/mol:	34.9
Dipole, Da:	9.2
IP(EA), eV:	-9.46(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations