Geometry & MOs

Info

ID:	41816
PubChem CID:	8147154
Reduced:	N3O3F4C17H17 (1)
Stoich.:	A3B3C4D17E17 (1)
Weight, g/mol:	378.254538
ΔH_f, kcal/mol:	-279.45
Dipole, Da:	5.67
IP(EA), eV:	-9.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NNC3=C(C(=CC(=C3F)F)F)F

DOS

IR

Vibrations