Geometry & MOs

Info

ID:	14412
PubChem CID:	410916
Reduced:	BrN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	433.1001
ΔH_f, kcal/mol:	-89.49
Dipole, Da:	5.74
IP(EA), eV:	-8.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 4-[(4-bromophenyl)carbamoylamino]benzoate

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations