Geometry & MOs

Info

ID:	276140
PubChem CID:	103820867
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	382.12559
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	5.75
IP(EA), eV:	-8.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=CC3=CC=CC=C3N=C2

DOS

IR

Vibrations