Geometry & MOs

Info

ID:	178205
PubChem CID:	76294309
Reduced:	FO2N4C27H35 (1)
Stoich.:	AB2C4D27E35 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-91.44
Dipole, Da:	9.09
IP(EA), eV:	-8.84(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CN(CCCCCC1CC(NN1)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)N4CCCCC4=O

DOS

IR

Vibrations