Geometry & MOs

Info

ID:	88663
PubChem CID:	49955986
Reduced:	NOCl2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	330.126569
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	2.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750026
Charge, e:	-2

Chem-info

IUPAC name:

1-piperidin-4-yl-N-[(4-prop-2-enoxyphenyl)methyl]methanamine;dichloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCCN.[Cl-]

DOS

IR

Vibrations