Geometry & MOs

Info

ID:	313664
PubChem CID:	126616833
Reduced:	ClN3O3C33H36 (1)
Stoich.:	AB3C3D33E36 (1)
Weight, g/mol:	377.279075
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	3.46
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-N-[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C3=C2C=C(C=C3)C(C4=CC=CC=C4)(C5=CC=C(C=C5)Cl)O)C6CC6

DOS

IR

Vibrations