Geometry & MOs

Info

ID:	431800
PubChem CID:	135171906
Reduced:	N3O4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	283.097345
ΔH_f, kcal/mol:	-152.93
Dipole, Da:	5.5
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-3-(3-nitro-4-phosphanylphenyl)butanoate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=CN=C(O2)COC

DOS

IR

Vibrations