Geometry & MOs

Info

ID:	317630
PubChem CID:	126644578
Reduced:	O2N5C30H37 (1)
Stoich.:	A2B5C30D37 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	0.84
IP(EA), eV:	-8.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[6-(hydroxymethyl)pyridin-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC(=C(N=C3)N)C(=O)N[C@H]4CCC[C@@H]4OCC5=CC=CC=C5

DOS

IR

Vibrations