Geometry & MOs

Info

ID:	418315
PubChem CID:	135104181
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	2.28
IP(EA), eV:	-8.83(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CCNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations