Geometry & MOs

Info

ID:	140876
PubChem CID:	52775702
Reduced:	NOC6H9 (4)
Stoich.:	ABC6D9 (4)
Weight, g/mol:	350.244367
ΔH_f, kcal/mol:	-185.15
Dipole, Da:	3.19
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[[(2S)-2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1-(4-methylphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C

DOS

IR

Vibrations