Geometry & MOs

Info

ID:	193404
PubChem CID:	78391032
Reduced:	ClO2N5H8C10 (1)
Stoich.:	AB2C5D8E10 (1)
Weight, g/mol:	683.23989
ΔH_f, kcal/mol:	-6.04
Dipole, Da:	7.99
IP(EA), eV:	-9.66(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-bromophenyl)-4-phenylmethoxybut-2-ynyl]-3-methyl-2-(2,2,2-triphenylethyl)pentanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NN=C2C(=NC(=O)NC2=O)N

DOS

IR

Vibrations