Geometry & MOs

Info

ID:	401057
PubChem CID:	135049941
Reduced:	O4C17H28 (1)
Stoich.:	A4B17C28 (1)
Weight, g/mol:	401.085914
ΔH_f, kcal/mol:	-214.91
Dipole, Da:	2.55
IP(EA), eV:	-10.54(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 2-[(3,5-dinitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CCC1(CCCCC1)CCOC(=O)C

DOS

IR

Vibrations