Geometry & MOs

Info

ID:	39933
PubChem CID:	8143228
Reduced:	ON2C25H30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	410.182829
ΔH_f, kcal/mol:	-6.2
Dipole, Da:	2.15
IP(EA), eV:	-8.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

DOS

IR

Vibrations