Geometry & MOs

Info

ID:	41890
PubChem CID:	8147665
Reduced:	O2S2N5H17C18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	308.176287
ΔH_f, kcal/mol:	48.97
Dipole, Da:	5.73
IP(EA), eV:	-9.05(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)OC(=N3)C4=CC=CS4

DOS

IR

Vibrations