Geometry & MOs

Info

ID:	145389
PubChem CID:	53515422
Reduced:	Cl2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-127.37
Dipole, Da:	3.23
IP(EA), eV:	-9.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetylpiperidin-4-yl)-3-isoquinolin-5-ylurea

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C(=O)NCCOC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations