Geometry & MOs

Info

ID:	337606
PubChem CID:	127258229
Reduced:	NO6C29H31 (1)
Stoich.:	AB6C29D31 (1)
Weight, g/mol:	317.184836
ΔH_f, kcal/mol:	-215.08
Dipole, Da:	4.2
IP(EA), eV:	-9.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-bis[(Z)-2-chlorohex-1-enyl]boranyl-N-ethylethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OC1=CC=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations