Geometry & MOs

Info

ID:	157487
PubChem CID:	56430544
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	358.154209
ΔH_f, kcal/mol:	-154.93
Dipole, Da:	4.68
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-3-quinolin-8-ylurea

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CN2CCCCC2C3OCCO3

DOS

IR

Vibrations