Geometry & MOs

Info

ID:	41296
PubChem CID:	8145621
Reduced:	FON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	424.260017
ΔH_f, kcal/mol:	21.11
Dipole, Da:	3.73
IP(EA), eV:	-8.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)C4=CC=C(C=C4)F

DOS

IR

Vibrations