Geometry & MOs

Info

ID:	37673
PubChem CID:	8023019
Reduced:	BrON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-16.45
Dipole, Da:	7.5
IP(EA), eV:	-8.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(Z)-[4-(2-cyanoanilino)-4-oxobutan-2-ylidene]amino]carbamate

Drug info:

PubChemData

Smile

CCC/C(=N/NC(=O)CNC1=CC(=CC=C1)Br)/CC

DOS

IR

Vibrations