Geometry & MOs

Info

ID:	145366
PubChem CID:	53510619
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-117.84
Dipole, Da:	3.9
IP(EA), eV:	-9.02(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-N-(oxan-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C2=C(OC(=C2Br)C)C

DOS

IR

Vibrations