Geometry & MOs

Info

ID:	190029
PubChem CID:	77943443
Reduced:	NC24H25 (1)
Stoich.:	AB24C25 (1)
Weight, g/mol:	624.178537
ΔH_f, kcal/mol:	76.6
Dipole, Da:	2.6
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 2-[5-[4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C=CC1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=CC=C4

DOS

IR

Vibrations