Geometry & MOs

Info

ID:	276141
PubChem CID:	103820873
Reduced:	BrN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	323.16452
ΔH_f, kcal/mol:	-101.6
Dipole, Da:	4.76
IP(EA), eV:	-9.3(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-carbamoyl-4-fluoroanilino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Br)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations