Geometry & MOs

Info

ID:	419610
PubChem CID:	135108544
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	-149.55
Dipole, Da:	2.21
IP(EA), eV:	-8.56(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)pyridin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)CN2CCC3(CC2)CC(CCO3)(C)O

DOS

IR

Vibrations