Geometry & MOs

Info

ID:	402256
PubChem CID:	135055228
Reduced:	NOH23C25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	448.108726
ΔH_f, kcal/mol:	40.41
Dipole, Da:	2.85
IP(EA), eV:	-8.72(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[4-[(2,2,2-trichloroacetyl)amino]hex-5-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(C3=CC=CC=C3N(C2=O)C)C/C=C/C4=CC=CC=C4

DOS

IR

Vibrations