Geometry & MOs

Info

ID:	41681
PubChem CID:	8146792
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	364.238888
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	9.03
IP(EA), eV:	-8.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

DOS

IR

Vibrations