Geometry & MOs

Info

ID:	286862
PubChem CID:	104223293
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	15.88
Dipole, Da:	7.03
IP(EA), eV:	-9.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC2=NC=C(C=N2)CN)C)[N+](=O)[O-]

DOS

IR

Vibrations