Geometry & MOs

Info

ID:	180776
PubChem CID:	76683710
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	460.26857
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	5.31
IP(EA), eV:	-9.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclopropyl) 2-[3-[5-[2-hydroxyethyl(methyl)carbamoyl]pyrazin-2-yl]oxypropyl]-7-azaspiro[3.5]nonane-7-carboxylate

Drug info:

PubChemData

Smile

CC1(CC1)OC(=O)N2CCC3(CC2)CC(C3)CCCOC4=NC=C(N=C4)C(=O)N(C)CC#N

DOS

IR

Vibrations