Geometry & MOs

Info

ID:	44421
PubChem CID:	10503459
Reduced:	N2O2C29H36 (1)
Stoich.:	A2B2C29D36 (1)
Weight, g/mol:	444.256549
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	1.91
IP(EA), eV:	-8.57(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-methylhex-1-ynyl)cyclopropyl]-1-tritylimidazole

Drug info:

PubChemData

Smile

C[C@]1(CCC2=CC=CC=C2C1)C[C@@H](CN)NC(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations