Geometry & MOs

Info

ID:	157656
PubChem CID:	56436338
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	355.247107
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	2.09
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=CC=C(C=C2)C(=O)N(C)CCCC(=O)OC(C)(C)C

DOS

IR

Vibrations