Geometry & MOs

Info

ID:	150049
PubChem CID:	53789734
Reduced:	ClO2N3H24C28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	489.237604
ΔH_f, kcal/mol:	20.61
Dipole, Da:	2.53
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[3-(8-oxo-1,5-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(=O)N(C)C2=CC=C(C=C2)C(=O)C3C4=CC=CN4CC5=CC=CC=C5N3

DOS

IR

Vibrations