Geometry & MOs

Info

ID:	343128
PubChem CID:	127266301
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	4.53
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(dimethylamino)isoquinolin-6-yl]-4-(hydroxymethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CN=C(O1)CNC(=O)NC2=CC3=C(C=C2)C(=NC=C3)N(C)C

DOS

IR

Vibrations