Geometry & MOs

Info

ID:	406239
PubChem CID:	135076988
Reduced:	N5O5C28H35 (1)
Stoich.:	A5B5C28D35 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-141.79
Dipole, Da:	6.74
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-azido-1-(4-methoxyanilino)-5-methyl-1-oxohexan-2-yl] propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C(C(CC2=CC=CC=C2)N=[N+]=[N-])OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations