Geometry & MOs

Info

ID:	430796
PubChem CID:	135170863
Reduced:	ON7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	63.27
Dipole, Da:	3.15
IP(EA), eV:	-9.07(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-ethyl-N-[3-[(4-prop-2-ynoxyphenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N)C(=O)C2=NC3=C(N2)C=C(C=C3)N=[N+]=[N-]

DOS

IR

Vibrations