Geometry & MOs

Info

ID:	149780
PubChem CID:	53789456
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	425.221561
ΔH_f, kcal/mol:	-182.5
Dipole, Da:	5.64
IP(EA), eV:	-8.94(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)COC4=C3C=CC(=C4)O

DOS

IR

Vibrations