Geometry & MOs

Info

ID:	368448
PubChem CID:	127328702
Reduced:	OSN5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	0.93
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-adamantyl)ethyl]-3-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=CC=CC(=C3)CSC4CCCCC4

DOS

IR

Vibrations