Geometry & MOs

Info

ID:	196390
PubChem CID:	78818895
Reduced:	FSN6C16H17 (1)
Stoich.:	ABC6D16E17 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	61.07
Dipole, Da:	4.23
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]indol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CN(CC1=CSC=C1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

DOS

IR

Vibrations