Geometry & MOs

Info

ID:	185118
PubChem CID:	77256910
Reduced:	SSiN4O5C31H40 (1)
Stoich.:	ABC4D5E31F40 (1)
Weight, g/mol:	475.171891
ΔH_f, kcal/mol:	-223.16
Dipole, Da:	2.58
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-cyano-2-[4-(3-methoxyphenyl)phenyl]ethyl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)CC(C#N)NC(=O)C4CCCCN4C(=O)O)SC1=O

DOS

IR

Vibrations