Geometry & MOs

Info

ID:	41904
PubChem CID:	8147725
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	322.191937
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	10.65
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(C(=C1O)CN(CC)CC3=NC(=O)C4=CC=CC=C4N3)OC(=O)C=C2C

DOS

IR

Vibrations