Geometry & MOs

Info

ID:	46020
PubChem CID:	10520483
Reduced:	ClN6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	330.149891
ΔH_f, kcal/mol:	131.53
Dipole, Da:	17.02
IP(EA), eV:	-8.28(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(3-chloro-4-methoxyphenyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C4=NC=CN=C4.[Cl-]

DOS

IR

Vibrations