Geometry & MOs

Info

ID:	431150
PubChem CID:	135171220
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	471.238273
ΔH_f, kcal/mol:	33.11
Dipole, Da:	4.9
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azido-N-ethyl-N-[(1S,3R)-3-[(4-prop-2-ynoxyphenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC3=CC=CC=C3O2)C(=O)C4=NC5=C(N4)C=C(C=C5)C#N

DOS

IR

Vibrations