Geometry & MOs

Info

ID:	39935
PubChem CID:	8143230
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	329.161366
ΔH_f, kcal/mol:	-101.8
Dipole, Da:	2.21
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methoxyethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

COCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations