Geometry & MOs

Info

ID:	367283
PubChem CID:	127324060
Reduced:	ON5C16H25 (1)
Stoich.:	AB5C16D25 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	5.05
IP(EA), eV:	-8.91(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations