Geometry & MOs

Info

ID:	370389
PubChem CID:	127338426
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	7.04
Dipole, Da:	5.76
IP(EA), eV:	-9.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxybenzoyl)-N-methyl-N-(oxolan-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(C)C1CCOC1)N2N=C(N=N2)C3=CC=CC=C3

DOS

IR

Vibrations