Geometry & MOs

Info

ID:	417976
PubChem CID:	135103206
Reduced:	ClO4N5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	392.253589
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	2.63
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminocyclohexyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN2C=C(C3=CC=C(C=C3)C(=O)N4CCOC(C4)CCNC(=O)C5=CC(=C(C=C5)OC1)Cl)N=N2

DOS

IR

Vibrations