Geometry & MOs

Info

ID:	279869
PubChem CID:	103845419
Reduced:	O3N4C15H26 (1)
Stoich.:	A3B4C15D26 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	7.38
IP(EA), eV:	-9.04(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-3-[(4-cyano-2,2-dimethylbutyl)amino]-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C(C1)NCC2=CN(N=C2)C)OC

DOS

IR

Vibrations