Geometry & MOs

Info

ID:	364065
PubChem CID:	127313738
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-77.85
Dipole, Da:	4.5
IP(EA), eV:	-9.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)COC2=CN=CC=C2

DOS

IR

Vibrations