Geometry & MOs

Info

ID:	368469
PubChem CID:	127328945
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	7.12
IP(EA), eV:	-9.54(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-1-methyl-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=NN=C2N1CC(CC2)CNC(=O)N3CCN(CC3)C(=O)C4CCCCC4

DOS

IR

Vibrations