Geometry & MOs

Info

ID:	202403
PubChem CID:	79668659
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	313.07897
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	4.99
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(C)(C)CN)C(=O)C1=C(C=CC(=C1)Cl)O

DOS

IR

Vibrations