Geometry & MOs

Info

ID:	6060
PubChem CID:	14374
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	21.0
Dipole, Da:	8.34
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCN(CC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations