Geometry & MOs

Info

ID:	343380
PubChem CID:	127266553
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	322.154209
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	4.23
IP(EA), eV:	-8.07(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC(=C1)CNC2=CC3=C(CCN3C(=O)CC4=CC=CC=C4)C=C2

DOS

IR

Vibrations