Geometry & MOs

Info

ID:	416581
PubChem CID:	135089729
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-106.99
Dipole, Da:	6.45
IP(EA), eV:	-9.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)F

DOS

IR

Vibrations