Geometry & MOs

Info

ID:	269622
PubChem CID:	103618225
Reduced:	BrO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	312.277678
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	7.0
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2,4,4-trimethylpentan-2-ylamino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)C#N)Br

DOS

IR

Vibrations