Geometry & MOs

Info

ID:	319880
PubChem CID:	126657447
Reduced:	F3O3N6C21H25 (1)
Stoich.:	A3B3C6D21E25 (1)
Weight, g/mol:	505.258598
ΔH_f, kcal/mol:	-188.64
Dipole, Da:	5.55
IP(EA), eV:	-8.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[3-(2-methyl-2-morpholin-4-ylpropyl)-5-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1COCC(N1CC(=O)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C)C(F)(F)F)C

DOS

IR

Vibrations