Geometry & MOs

Info

ID:	417193
PubChem CID:	135091621
Reduced:	N6O7C31H46 (1)
Stoich.:	A6B7C31D46 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-323.84
Dipole, Da:	4.02
IP(EA), eV:	-9.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2CCOCC2)C)CC3=CC=CC=C3

DOS

IR

Vibrations