Geometry & MOs

Info

ID:	49877
PubChem CID:	11534091
Reduced:	OSN8C30H32 (1)
Stoich.:	ABC8D30E32 (1)
Weight, g/mol:	552.321275
ΔH_f, kcal/mol:	103.28
Dipole, Da:	8.4
IP(EA), eV:	-8.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]-2-methylaziridine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN=C(NC#N)NC2=CC=CC(=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations