Geometry & MOs

Info

ID:	265397
PubChem CID:	103519575
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	356.08479
ΔH_f, kcal/mol:	9.0
Dipole, Da:	5.93
IP(EA), eV:	-8.8(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-bromo-5-nitropyridin-4-yl)piperidin-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCNC2=C(C=NC=C2[N+](=O)[O-])Br)N

DOS

IR

Vibrations