Geometry & MOs

Info

ID:	69813
PubChem CID:	47205436
Reduced:	BrNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	25.4
Dipole, Da:	4.3
IP(EA), eV:	-9.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-cyanobenzoyl)-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1CN(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations