Geometry & MOs

Info

ID:	304437
PubChem CID:	124594902
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-83.82
Dipole, Da:	2.63
IP(EA), eV:	-8.97(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CO[C@H]([C@@H](N1C(=O)CCNC(C)C)C)C2=CC=CC=C2

DOS

IR

Vibrations