Geometry & MOs

Info

ID:	345549
PubChem CID:	127269849
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-70.31
Dipole, Da:	2.87
IP(EA), eV:	-8.87(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCCN2CCC3=CC=CC=C3C2

DOS

IR

Vibrations