Geometry & MOs

Info

ID:	51090
PubChem CID:	12013713
Reduced:	OPC28H31 (1)
Stoich.:	ABC28D31 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	26.65
Dipole, Da:	3.07
IP(EA), eV:	-8.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(E)-hex-1-enyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1P=C2C3=CC=CC=C3C4=CC=CC=C42)C(C)(C)C)OC

DOS

IR

Vibrations