Geometry & MOs

Info

ID:	348656
PubChem CID:	127273767
Reduced:	ON6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	377.163394
ΔH_f, kcal/mol:	12.96
Dipole, Da:	6.46
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N(C)C2CCN(CC2)CCC3=CC=CC=N3)C

DOS

IR

Vibrations