Geometry & MOs

Info

ID:	41248
PubChem CID:	8145529
Reduced:	FO2N4C23H33 (1)
Stoich.:	AB2C4D23E33 (1)
Weight, g/mol:	364.238888
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	5.51
IP(EA), eV:	-8.32(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations