Geometry & MOs

Info

ID:	190797
PubChem CID:	78058462
Reduced:	OC6H10 (4)
Stoich.:	AB6C10 (4)
Weight, g/mol:	457.196134
ΔH_f, kcal/mol:	-194.07
Dipole, Da:	2.62
IP(EA), eV:	-9.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbamic acid;3-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(C(=O)C1=CC=C(O1)CO)O

DOS

IR

Vibrations