Geometry & MOs

Info

ID:	317672
PubChem CID:	126644898
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-9.22
Dipole, Da:	5.19
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CO[C@H]2CN(C[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=CN(N=C4)C)N)C)C

DOS

IR

Vibrations