Geometry & MOs

Info

ID:	247715
PubChem CID:	103072900
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	286.99055
ΔH_f, kcal/mol:	-5.26
Dipole, Da:	2.55
IP(EA), eV:	-8.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)prop-2-enyl]-3-bromo-5-nitropyridin-4-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C=CC2=C(C1=O)C=CS2

DOS

IR

Vibrations