Geometry & MOs

Info

ID:	370174
PubChem CID:	127337629
Reduced:	ON7C18H27 (1)
Stoich.:	AB7C18D27 (1)
Weight, g/mol:	370.222957
ΔH_f, kcal/mol:	6.63
Dipole, Da:	5.86
IP(EA), eV:	-9.18(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations