Geometry & MOs

Info

ID:	247566
PubChem CID:	103072258
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	7.31
IP(EA), eV:	-9.13(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(tert-butylamino)methyl]prop-2-enyl]-3-nitropyridin-2-one

Drug info:

PubChemData

Smile

CNCC(=C)CN1C=CC=C(C1=O)[N+](=O)[O-]

DOS

IR

Vibrations