Geometry & MOs

Info

ID:	367299
PubChem CID:	127324078
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-49.48
Dipole, Da:	4.47
IP(EA), eV:	-8.7(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NC3CC4=CC=CC=C4OC3

DOS

IR

Vibrations