Geometry & MOs

Info

ID:	190503
PubChem CID:	78012844
Reduced:	ON6C26H28 (1)
Stoich.:	AB6C26D28 (1)
Weight, g/mol:	466.211724
ΔH_f, kcal/mol:	81.68
Dipole, Da:	6.48
IP(EA), eV:	-8.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-oxo-3-[4-(pyrazol-1-ylmethyl)phenyl]-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

COCC1=C(N2C(=C(C=N2)C3=CN=C(C=C3)C4=CC=CC=C4)N=C1C5CC6CCC(C5)N6)N

DOS

IR

Vibrations