Geometry & MOs

Info

ID:	266786
PubChem CID:	103579422
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	296.11207
ΔH_f, kcal/mol:	-138.3
Dipole, Da:	5.78
IP(EA), eV:	-9.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-nitropyridin-3-yl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations