Geometry & MOs

Info

ID:	371206
PubChem CID:	127344323
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	357.227709
ΔH_f, kcal/mol:	-78.32
Dipole, Da:	8.06
IP(EA), eV:	-8.36(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(CNC(=O)NCC1=CN2CCCCC2=N1)CN3CCOCC3

DOS

IR

Vibrations