Geometry & MOs

Info

ID:	421103
PubChem CID:	135115385
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	402.201553
ΔH_f, kcal/mol:	-150.35
Dipole, Da:	9.25
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=CO2)CCCOC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations