Geometry & MOs

Info

ID:	317677
PubChem CID:	126644925
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	2.27
IP(EA), eV:	-8.88(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=CC=C(C=C2)CO[C@H]3CCC[C@@H]3N

DOS

IR

Vibrations