Geometry & MOs

Info

ID:	200045
PubChem CID:	79337509
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	254.082205
ΔH_f, kcal/mol:	-166.37
Dipole, Da:	2.49
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-3-ylmethyl N-(4-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

C1CCNC(C1)COC(=O)NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations