Geometry & MOs

Info

ID:	387317
PubChem CID:	134984890
Reduced:	NO8C22H31 (1)
Stoich.:	AB8C22D31 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-261.3
Dipole, Da:	8.36
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-[(2R)-1-nitropropan-2-yl]-3-[[(1R)-1-phenylethyl]amino]but-2-enoate

Drug info:

PubChemData

Smile

CCCC(C)(C)CC(=O)[C@H]([C@H](C[N+](=O)[O-])C1=CC2=C(C(=C1)OC)OCO2)C(=O)OCC

DOS

IR

Vibrations