Geometry & MOs

Info

ID:	41758
PubChem CID:	8147043
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	336.207587
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	7.07
IP(EA), eV:	-9.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C(C)C)NCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations