Geometry & MOs

Info

ID:	447458
PubChem CID:	135283026
Reduced:	O3N5C27H39 (1)
Stoich.:	A3B5C27D39 (1)
Weight, g/mol:	243.98474
ΔH_f, kcal/mol:	-61.98
Dipole, Da:	5.55
IP(EA), eV:	-8.33(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-6-methylpyridin-3-yl)methylcarbamic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCNC(=O)C(=C)C)ON1C(=NC2=C1C3=CC=CC=C3N=C2N)COCC

DOS

IR

Vibrations