Geometry & MOs

Info

ID:	430770
PubChem CID:	135170837
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	42.09
Dipole, Da:	6.32
IP(EA), eV:	-8.96(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzoxazol-5-ylmethylamino)cyclohexyl]-6-cyano-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=C(C=C2)OC=N3)C(=O)C4=NC5=C(N4)C=C(C=C5)C#N

DOS

IR

Vibrations