Geometry & MOs

Info

ID:	419371
PubChem CID:	135108053
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	408.23727
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	1.72
IP(EA), eV:	-9.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-9-(2-ethoxyacetyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations