Geometry & MOs

Info

ID:	343129
PubChem CID:	127266302
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	4.19
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(dimethylamino)isoquinolin-6-yl]-3-(4-hydroxybutyl)urea

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC2=C1C=CC(=C2)NC(=O)N3CCC(CC3)CO

DOS

IR

Vibrations