Geometry & MOs

Info

ID:	358667
PubChem CID:	127296457
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	26.04
Dipole, Da:	4.93
IP(EA), eV:	-8.65(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1H-indol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCCC3C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations