Geometry & MOs

Info

ID:	405732
PubChem CID:	135075189
Reduced:	ClN2O2C25H29 (1)
Stoich.:	AB2C2D25E29 (1)
Weight, g/mol:	522.07097
ΔH_f, kcal/mol:	-28.71
Dipole, Da:	2.99
IP(EA), eV:	-8.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(4-bromophenyl)imino-4-phenylbut-2-ynyl]-N-(4-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(=NC1=CC=CC=C1)C#CCN(C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C

DOS

IR

Vibrations