Geometry & MOs

Info

ID:	350658
PubChem CID:	127278693
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	6.59
IP(EA), eV:	-8.7(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)NC2CC2)NC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations