Geometry & MOs

Info

ID:	152090
PubChem CID:	56310947
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	416.150285
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	4.27
IP(EA), eV:	-8.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations