Geometry & MOs

Info

ID:	170309
PubChem CID:	75215542
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	357.164833
ΔH_f, kcal/mol:	-141.74
Dipole, Da:	5.85
IP(EA), eV:	-9.29(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-yl]oxymethyl 2-aminoacetate

Drug info:

PubChemData

Smile

CC1=CCCC(=C)C(CC2(CC(=O)C(=C(C)C)C2CC1)C)OC(=O)C

DOS

IR

Vibrations