Geometry & MOs

Info

ID:	352069
PubChem CID:	127283137
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	-157.78
Dipole, Da:	5.67
IP(EA), eV:	-8.9(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)NCC3(CCOCC3)O

DOS

IR

Vibrations