Geometry & MOs

Info

ID:	445580
PubChem CID:	135268319
Reduced:	N2C21H36 (1)
Stoich.:	A2B21C36 (1)
Weight, g/mol:	426.210742
ΔH_f, kcal/mol:	3.03
Dipole, Da:	2.64
IP(EA), eV:	-7.69(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC/C=C\C(=C\N(C[C@@H]1CCC(=CC1)CNC)/C=C/C(C)C)\C

DOS

IR

Vibrations