Geometry & MOs

Info

ID:	414009
PubChem CID:	135086962
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	6.66
IP(EA), eV:	-8.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(E)-2-(azidomethyl)-3-methoxy-3-oxoprop-1-enyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CCC/C(=N\C1=C(C2=CC=CC=C2N1C3=CCC(CC3)C(=C)C)C=O)/N4CCOCC4

DOS

IR

Vibrations