Geometry & MOs

Info

ID:	323826
PubChem CID:	126676271
Reduced:	IO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-10.25
Dipole, Da:	1.82
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations