Geometry & MOs

Info

ID:	261414
PubChem CID:	103232212
Reduced:	ClO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	3.84
IP(EA), eV:	-9.21(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(4-bromo-2-methylanilino)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations