Geometry & MOs

Info

ID:	205201
PubChem CID:	80067579
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	4.81
IP(EA), eV:	-8.28(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-methyl-2-nitrophenyl)piperidin-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCOC2=CC=C(C=C2)N

DOS

IR

Vibrations