Geometry & MOs

Info

ID:	255976
PubChem CID:	103136018
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	-150.88
Dipole, Da:	5.68
IP(EA), eV:	-9.91(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-isoquinolin-8-ylpentan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN[C@@H](C)C(=O)O

DOS

IR

Vibrations