Geometry & MOs

Info

ID:	345548
PubChem CID:	127269848
Reduced:	O3N5C20H37 (1)
Stoich.:	A3B5C20D37 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-168.13
Dipole, Da:	2.41
IP(EA), eV:	-8.93(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCC(CC1)NC(=O)NC2CCCCC2)N3CCOCC3

DOS

IR

Vibrations