Geometry & MOs

Info

ID:	39922
PubChem CID:	8143215
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	412.234865
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	8.43
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CCOC)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations