Geometry & MOs

Info

ID:	162533
PubChem CID:	57394970
Reduced:	O2F3N3C25H34 (1)
Stoich.:	A2B3C3D25E34 (1)
Weight, g/mol:	444.288912
ΔH_f, kcal/mol:	-225.9
Dipole, Da:	7.11
IP(EA), eV:	-9.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylpiperidin-4-yl)-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)NC(C2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)F)F)F)C(=O)N

DOS

IR

Vibrations