Geometry & MOs

Info

ID:	152587
PubChem CID:	56311557
Reduced:	N5O5C24H35 (1)
Stoich.:	A5B5C24D35 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-162.96
Dipole, Da:	2.79
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=NO2)C(C)(C)NC(=O)OC(C)(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations