Geometry & MOs

Info

ID:	19444
PubChem CID:	564100
Reduced:	NO3C27H37 (1)
Stoich.:	AB3C27D37 (1)
Weight, g/mol:	423.277344
ΔH_f, kcal/mol:	-104.23
Dipole, Da:	2.49
IP(EA), eV:	-8.72(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(dibenzylamino)-5-methylhex-2-enoxy]acetate

Drug info:

PubChemData

Smile

CC(C)C(C=CCOCC(=O)OC(C)(C)C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations