Geometry & MOs

Info

ID:	171869
PubChem CID:	75435294
Reduced:	N3O5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-154.48
Dipole, Da:	4.19
IP(EA), eV:	-8.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations