Geometry & MOs

Info

ID:	367301
PubChem CID:	127324080
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	370.222957
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	6.72
IP(EA), eV:	-9.45(0.05)
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-(1-pyrimidin-2-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1CC1CNC(=O)N2CCNC(=O)CC2C3=CC=CC=C3

DOS

IR

Vibrations