Geometry & MOs

Info

ID:	302222
PubChem CID:	124360359
Reduced:	N2O3C15H28 (1)
Stoich.:	A2B3C15D28 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-178.25
Dipole, Da:	5.55
IP(EA), eV:	-9.38(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R,3S)-3-methyl-1-(3-methylanilino)-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

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CC[C@H](C)[C@H](C(=O)OC)NC(=O)N1C[C@@H](C[C@@H](C1)C)C

DOS

IR

Vibrations