Geometry & MOs

Info

ID:	343098
PubChem CID:	127266271
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	345.135638
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	5.4
IP(EA), eV:	-8.91(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[(6-chloropyridazin-3-yl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCC(=O)N1)NCC2=CC=CC=C2OC

DOS

IR

Vibrations