Geometry & MOs

Info

ID:	151954
PubChem CID:	56310787
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-99.08
Dipole, Da:	4.66
IP(EA), eV:	-8.39(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetyl]indol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations