Geometry & MOs

Info

ID:	426865
PubChem CID:	135154261
Reduced:	N2O3C9H13 (2)
Stoich.:	A2B3C9D13 (2)
Weight, g/mol:	506.10659
ΔH_f, kcal/mol:	-220.82
Dipole, Da:	5.09
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-bromo-6-[4-(3-cyanophenoxy)piperidin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN([C@]12CCNC2)C(=O)OC(=O)C(=O)OC(=O)N3C[C@@H]([C@@]34CCNC4)C

DOS

IR

Vibrations