Geometry & MOs

Info

ID:	297533
PubChem CID:	117620038
Reduced:	NO8C12H21 (1)
Stoich.:	AB8C12D21 (1)
Weight, g/mol:	456.227374
ΔH_f, kcal/mol:	-352.42
Dipole, Da:	1.71
IP(EA), eV:	-9.49(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-4-[4-[5-[(4-methylphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline

Drug info:

PubChemData

Smile

CC(C(=O)O)OCCN(CCOC(C)OC=O)CC(=O)O

DOS

IR

Vibrations