Geometry & MOs

Info

ID:	430795
PubChem CID:	135170862
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	327.180758
ΔH_f, kcal/mol:	30.3
Dipole, Da:	4.21
IP(EA), eV:	-8.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-aminocyclohexyl]-6-azido-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)OCC#C)C(=O)C3=NC4=C(C=CC=C4N3)N

DOS

IR

Vibrations