Geometry & MOs

Info

ID:	405733
PubChem CID:	135075195
Reduced:	BrClN2O2H24C27 (1)
Stoich.:	ABC2D2E24F27 (1)
Weight, g/mol:	410.199428
ΔH_f, kcal/mol:	20.59
Dipole, Da:	3.31
IP(EA), eV:	-9.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-phenyl-N-(4-phenyl-4-phenyliminobut-2-ynyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC#CC(=NC1=CC=C(C=C1)Br)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations