Geometry & MOs

Info

ID:	323687
PubChem CID:	126675744
Reduced:	O2N5C32H32 (2)
Stoich.:	A2B5C32D32 (2)
Weight, g/mol:	238.085461
ΔH_f, kcal/mol:	107.87
Dipole, Da:	8.3
IP(EA), eV:	-7.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(4-cyanophenyl)pyridine-3-carboxamide

Drug info:

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NN)OC2=CC=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)N(C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)N)NC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations