Geometry & MOs

Info

ID:	256166
PubChem CID:	103137497
Reduced:	BrN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	78.43
Dipole, Da:	3.35
IP(EA), eV:	-8.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-aminoisoquinolin-8-yl)pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C3C=NC=CC3=C(C=C2)N)Br

DOS

IR

Vibrations