Geometry & MOs

Info

ID:	28612
PubChem CID:	828623
Reduced:	ClNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	3.21
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N[C@H](C)C2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations