Geometry & MOs

Info

ID:	39915
PubChem CID:	8143200
Reduced:	PN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	369.15628
ΔH_f, kcal/mol:	-154.57
Dipole, Da:	3.87
IP(EA), eV:	-8.79(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)OP(=O)(NNC4=CC=CC=C4)OC5=CC=CC=C5

DOS

IR

Vibrations