Geometry & MOs

Info

ID:	41677
PubChem CID:	8146777
Reduced:	ClSN4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	383.17644
ΔH_f, kcal/mol:	87.95
Dipole, Da:	2.56
IP(EA), eV:	-8.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations