Geometry & MOs

Info

ID:	280116
PubChem CID:	103846989
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	3.89
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(oxolan-2-ylmethyl)isoquinolin-1-amine

Drug info:

PubChemData

Smile

CCN1CCN(CC1C)C(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations