Geometry & MOs

Info

ID:	419896
PubChem CID:	135109629
Reduced:	ClO2N5C14H16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-7.46
Dipole, Da:	5.64
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-[(1-ethylimidazol-2-yl)methyl-methylamino]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)Cl

DOS

IR

Vibrations