Geometry & MOs

Info

ID:	431373
PubChem CID:	135171448
Reduced:	N4H48C63 (1)
Stoich.:	A4B48C63 (1)
Weight, g/mol:	121.089149
ΔH_f, kcal/mol:	237.43
Dipole, Da:	2.56
IP(EA), eV:	-7.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC3=C(C=C2)N(C4=CC=CC(=C43)C5=CC=CC=C5C6=CC=CC=C6C7=C8C(=CC=C7)N(C9=C8C=C(C=C9)NC1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C1=CC=CC=C1

DOS

IR

Vibrations