Geometry & MOs

Info

ID:	37985
PubChem CID:	8026240
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	399.158779
ΔH_f, kcal/mol:	-22.33
Dipole, Da:	4.51
IP(EA), eV:	-8.17(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)NC2=CC=CC=C2NC3=CC=C(C=C3)OC

DOS

IR

Vibrations