Geometry & MOs

Info

ID:	41680
PubChem CID:	8146787
Reduced:	SN5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	139.96
Dipole, Da:	3.52
IP(EA), eV:	-8.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-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=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations