Geometry & MOs

Info

ID:	187906
PubChem CID:	77641939
Reduced:	O3C14H22 (2)
Stoich.:	A3B14C22 (2)
Weight, g/mol:	376.02839
ΔH_f, kcal/mol:	-295.97
Dipole, Da:	10.04
IP(EA), eV:	-9.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-iodo-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CCCCCCC(CC=CCCCCCCC(CC(CO)O)C(=O)O)O

DOS

IR

Vibrations