Geometry & MOs

Info

ID:	159036
PubChem CID:	57244620
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	423.243439
ΔH_f, kcal/mol:	-109.72
Dipole, Da:	5.19
IP(EA), eV:	-9.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-(tert-butylamino)pyridin-2-yl]-methylamino]piperidin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C(=O)C1CC[C@@H]3[C@H]2CC[C@]4([C@H]3CCO4)C

DOS

IR

Vibrations