Geometry & MOs

Info

ID:	447676
PubChem CID:	135284695
Reduced:	ClON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	470.231791
ΔH_f, kcal/mol:	35.57
Dipole, Da:	1.1
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-1-[2-[2-(methylamino)propanoylamino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@](C)(COC1=C(C=C(C=N1)C2=CC=NC3=CC=NN23)Cl)N

DOS

IR

Vibrations