Geometry & MOs

Info

ID:	313620
PubChem CID:	126616712
Reduced:	N5H19C21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	548.201275
ΔH_f, kcal/mol:	114.69
Dipole, Da:	1.42
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-2-propan-2-ylbenzimidazol-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CC1(CN)C3=CC(=NC=C3)C4=C5C=CNC5=NC=N4

DOS

IR

Vibrations