Geometry & MOs

Info

ID:	41286
PubChem CID:	8145604
Reduced:	FSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	397.19209
ΔH_f, kcal/mol:	54.51
Dipole, Da:	5.07
IP(EA), eV:	-8.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]methyl]-7-chloro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations