Geometry & MOs

Info

ID:	252913
PubChem CID:	103114901
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	4.91
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-3-nitrophenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CCCC(C2)OC

DOS

IR

Vibrations