Geometry & MOs

Info

ID:	347015
PubChem CID:	127271519
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	2.5
IP(EA), eV:	-8.51(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(1-ethylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations