Geometry & MOs

Info

ID:	431069
PubChem CID:	135171139
Reduced:	ClN3C6H14 (1)
Stoich.:	AB3C6D14 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	11.41
Dipole, Da:	2.31
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-ethyl-N-[3-[(3-prop-2-ynoxyphenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)NNCl)N

DOS

IR

Vibrations