Geometry & MOs

Info

ID:	59405
PubChem CID:	24855069
Reduced:	O3S4N5C20H29 (1)
Stoich.:	A3B4C5D20E29 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-53.49
Dipole, Da:	7.2
IP(EA), eV:	-8.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C(=CS1)NC2=NSN=C2N[C@@H](C3=CC(=C(S3)C)C)C(C)C)O

DOS

IR

Vibrations