Geometry & MOs

Info

ID:	430894
PubChem CID:	135170962
Reduced:	ON3C27H33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	404.222369
ΔH_f, kcal/mol:	16.68
Dipole, Da:	4.69
IP(EA), eV:	-8.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[ethyl-(6-fluoro-1H-benzimidazole-2-carbonyl)amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)C5CC5

DOS

IR

Vibrations