Geometry & MOs

Info

ID:	416119
PubChem CID:	135089127
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-79.96
Dipole, Da:	6.85
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[[5-(methylcarbamoyl)furan-2-yl]methylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3CCC4(CC3)C5=C(CCO4)C=CS5

DOS

IR

Vibrations