Geometry & MOs

Info

ID:	256320
PubChem CID:	103138445
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	26.72
Dipole, Da:	3.09
IP(EA), eV:	-7.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC(C)C(C)CNC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations