Geometry & MOs

Info

ID:	130694
PubChem CID:	51092195
Reduced:	BrON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	41.17
Dipole, Da:	3.33
IP(EA), eV:	-8.82(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=C2C=CC=C3Br)C(=O)C4=CC=NN4

DOS

IR

Vibrations