Geometry & MOs

Info

ID:	80779
PubChem CID:	49836688
Reduced:	O3N5H49C52 (1)
Stoich.:	A3B5C49D52 (1)
Weight, g/mol:	773.372976
ΔH_f, kcal/mol:	71.77
Dipole, Da:	5.42
IP(EA), eV:	-8.91(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3,3-bis(1-tritylimidazol-4-yl)prop-2-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(C1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CN(C=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O

DOS

IR

Vibrations