Geometry & MOs

Info

ID:	180430
PubChem CID:	76631385
Reduced:	S2O6N7C28H33 (1)
Stoich.:	A2B6C7D28E33 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	7.48
IP(EA), eV:	-8.7(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-3,7-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CN(C)CCCOC1=NC2=C(C=C1)N=C(S2)NC(=O)C(=NOCC3=NC=CC=N3)C4=CC=C(C=C4)S(=O)(=O)CCCOC

DOS

IR

Vibrations