Geometry & MOs

Info

ID:	153080
PubChem CID:	56312211
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-133.95
Dipole, Da:	6.27
IP(EA), eV:	-8.43(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations