Geometry & MOs

Info

ID:	260209
PubChem CID:	103184813
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	12.32
Dipole, Da:	3.78
IP(EA), eV:	-10.0(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3-methoxypropoxy)ethyl]-1,3-dihydroinden-2-yl]methanamine

Drug info:

PubChemData

Smile

CCC1CCC(C1)(CC2=NC=C(C(=C2C)[N+](=O)[O-])C)C#N

DOS

IR

Vibrations