Geometry & MOs

Info

ID:	329956
PubChem CID:	127246943
Reduced:	N5C19H21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	90.79
Dipole, Da:	2.55
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations