Geometry & MOs

Info

ID:	257231
PubChem CID:	103144533
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	1.22
IP(EA), eV:	-8.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=CC(=CS2)OC)C)N

DOS

IR

Vibrations