Geometry & MOs

Info

ID:	319017
PubChem CID:	126654157
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-15.32
Dipole, Da:	1.73
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(4S)-1-methyl-4-phenylmethoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)NC3COC[C@@H]3N4CCCC4

DOS

IR

Vibrations