Geometry & MOs

Info

ID:	202659
PubChem CID:	79706598
Reduced:	BFSN2O2H10C11 (1)
Stoich.:	ABCD2E2F10G11 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-136.5
Dipole, Da:	2.21
IP(EA), eV:	-9.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-methylbut-3-yn-2-ylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)CSC2=NC=NC=C2)(O)O

DOS

IR

Vibrations