Geometry & MOs

Info

ID:	427253
PubChem CID:	135156424
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-173.18
Dipole, Da:	7.53
IP(EA), eV:	-9.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=CC2=CC=C(C=C2)C(=O)O)CC1

DOS

IR

Vibrations