Geometry & MOs

Info

ID:	264495
PubChem CID:	103464488
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	5.1
IP(EA), eV:	-9.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N

DOS

IR

Vibrations