Geometry & MOs

Info

ID:	152852
PubChem CID:	56311931
Reduced:	FOSN4C27H29 (1)
Stoich.:	ABCD4E27F29 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	2.42
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4CCCN(CC4)CC5=CC=CC=C5F)C

DOS

IR

Vibrations