Geometry & MOs

Info

ID:	347007
PubChem CID:	127271511
Reduced:	O4N5C18H23 (1)
Stoich.:	A4B5C18D23 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-69.36
Dipole, Da:	1.27
IP(EA), eV:	-9.47(-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-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NO2)C3=CC=CC=N3)C(=O)NCC4COCCO4

DOS

IR

Vibrations