Geometry & MOs

Info

ID:	314075
PubChem CID:	126620324
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	5.62
IP(EA), eV:	-8.74(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-nitro-5-oxopentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCC(CC1)N2C[C@@H]3C[C@H]2CN3

DOS

IR

Vibrations