Geometry & MOs

Info

ID:	430761
PubChem CID:	135170828
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	1.5
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC3=C(C=C2)OC(=N3)C)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations