Geometry & MOs

Info

ID:	443915
PubChem CID:	135260500
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	190.123676
ΔH_f, kcal/mol:	23.85
Dipole, Da:	6.77
IP(EA), eV:	-8.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azetidin-1-yl)cyclohexan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C2=CC=CN3C2=C(C=N3)C4=CC=C(C=C4)NC(=O)O

DOS

IR

Vibrations