Geometry & MOs

Info

ID:	431757
PubChem CID:	135171861
Reduced:	N2O5C20H30 (1)
Stoich.:	A2B5C20D30 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-147.69
Dipole, Da:	6.82
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-amino-4-[2-methylpropyl(piperidin-4-yl)amino]phenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations