Geometry & MOs

Info

ID:	414896
PubChem CID:	135087868
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	405.226371
ΔH_f, kcal/mol:	-123.89
Dipole, Da:	5.29
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-9-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]butanamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C(C)OC2=CC=CC=C2OC

DOS

IR

Vibrations