Geometry & MOs

Info

ID:	424455
PubChem CID:	135122725
Reduced:	N3O5C14H15 (1)
Stoich.:	A3B5C14D15 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-96.0
Dipole, Da:	5.65
IP(EA), eV:	-9.41(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[5-(aminomethyl)-2,3-dihydroindol-1-yl]-2-methylpropanal

Drug info:

PubChemData

Smile

CC(C(=O)NC)OC1=CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)C

DOS

IR

Vibrations