Geometry & MOs

Info

ID:	433006
PubChem CID:	135173143
Reduced:	N4H26C39 (1)
Stoich.:	A4B26C39 (1)
Weight, g/mol:	166.146999
ΔH_f, kcal/mol:	222.74
Dipole, Da:	2.25
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-3,4-dihydro-2H-pyrrol-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=N7)C8=CC=CC=C8

DOS

IR

Vibrations