Geometry & MOs

Info

ID:	339149
PubChem CID:	127260528
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	-83.67
Dipole, Da:	3.46
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(pyrrolidine-1-carbonyl)phenyl]methyl benzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCCOC(=O)C2=CC=CC=C2

DOS

IR

Vibrations