Geometry & MOs

Info

ID:	204535
PubChem CID:	79978008
Reduced:	NSBr2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	266.141913
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	4.1
IP(EA), eV:	-9.01(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyclopropylphenyl)methylamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=CC3=C(C=C2Br)OCCCO3)N)Br

DOS

IR

Vibrations