Geometry & MOs

Info

ID:	74213
PubChem CID:	48421592
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	3.78
IP(EA), eV:	-8.05(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(diethylamino)pyridin-3-yl]-3-isoquinolin-5-ylurea

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)NC2=CC(=CC=C2)N3CCNC3=O

DOS

IR

Vibrations