Geometry & MOs

Info

ID:	417040
PubChem CID:	135091149
Reduced:	OF3N3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	376.211055
ΔH_f, kcal/mol:	-175.51
Dipole, Da:	7.89
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N3C[C@@H]([C@H](C3)O)N4CCCCC4

DOS

IR

Vibrations