Geometry & MOs

Info

ID:	336089
PubChem CID:	127255096
Reduced:	SN6O6H24C25 (1)
Stoich.:	AB6C6D24E25 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-77.48
Dipole, Da:	11.59
IP(EA), eV:	-8.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC=CC=N4)O

DOS

IR

Vibrations