Geometry & MOs

Info

ID:	346999
PubChem CID:	127271503
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	361.155018
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	1.95
IP(EA), eV:	-9.23(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC1CC2CCNC(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations