Geometry & MOs

Info

ID:	147946
PubChem CID:	53787607
Reduced:	NO4C21H33 (1)
Stoich.:	AB4C21D33 (1)
Weight, g/mol:	288.179755
ΔH_f, kcal/mol:	-174.85
Dipole, Da:	4.69
IP(EA), eV:	-9.19(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[2-(methoxycarbonylamino)butan-2-yldiazenyl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=CCCC(C=C[C@@H]1[C@H](CCC1O)CC2CCC3N2C3C(=O)O)O)C

DOS

IR

Vibrations