Geometry & MOs

Info

ID:	430925
PubChem CID:	135170995
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	33.9
Dipole, Da:	4.04
IP(EA), eV:	-8.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=CC=C2)OCC#C)C(=O)C3=NC4=C(C=CC=C4N3)N

DOS

IR

Vibrations