Geometry & MOs

Info

ID:	364147
PubChem CID:	127314323
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-37.11
Dipole, Da:	0.86
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methyloxetan-3-yl)methyl]-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(CCO2)NC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations