Geometry & MOs

Info

ID:	146069
PubChem CID:	53630728
Reduced:	ON2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	514.128694
ΔH_f, kcal/mol:	-23.01
Dipole, Da:	2.29
IP(EA), eV:	-8.3(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-6-methoxy-7-[[5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]quinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN)N

DOS

IR

Vibrations