Geometry & MOs

Info

ID:	189494
PubChem CID:	77865905
Reduced:	ClN2O4C35H39 (1)
Stoich.:	AB2C4D35E39 (1)
Weight, g/mol:	434.233621
ΔH_f, kcal/mol:	-149.22
Dipole, Da:	5.38
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-(4-chlorophenyl)-3,3-dimethylpiperidine-1-carbonyl]cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC1(CN(CCC1C2=CC=C(C=C2)Cl)C(=O)C3CCCCC3NC(=O)C4=CC=CC(=C4)C5=CC(=CC=C5)C(=O)OC)C

DOS

IR

Vibrations