Geometry & MOs

Info

ID:	431211
PubChem CID:	135171281
Reduced:	ClFO2N5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	4.61
IP(EA), eV:	-8.57(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,5R)-5-(2,3-dihydro-1H-inden-1-ylmethylideneamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CC[C@H]([C@H](C2)F)OC3=CC4=C(C=C3)N(N=C4)C

DOS

IR

Vibrations