Geometry & MOs

Info

ID:	252436
PubChem CID:	103111404
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	293.112404
ΔH_f, kcal/mol:	-26.43
Dipole, Da:	3.43
IP(EA), eV:	-8.39(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations