Geometry & MOs

Info

ID:	313650
PubChem CID:	126616794
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	387.288577
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	4.02
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-N-[2-(2-aminopropanoylamino)-3-phenylpropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N1C(=O)OC(C)(C)C)N=CN=C2Cl

DOS

IR

Vibrations