Geometry & MOs

Info

ID:	41874
PubChem CID:	8147555
Reduced:	ON6C14H22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	378.254538
ΔH_f, kcal/mol:	2.43
Dipole, Da:	7.52
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)N)C)CC(=O)NCCC(C)C

DOS

IR

Vibrations