Geometry & MOs

Info

ID:	196654
PubChem CID:	78858903
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	6.17
IP(EA), eV:	-9.2(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-(morpholin-4-ylmethyl)-3-(3-phenylpropyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations