Geometry & MOs

Info

ID:	175742
PubChem CID:	75942654
Reduced:	Cl2N3O5C21H29 (1)
Stoich.:	A2B3C5D21E29 (1)
Weight, g/mol:	459.273321
ΔH_f, kcal/mol:	-241.98
Dipole, Da:	5.5
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C(=C2)Cl)OC)Cl

DOS

IR

Vibrations