Geometry & MOs

Info

ID:	124192
PubChem CID:	50874350
Reduced:	FN4O4H25C27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	349.98215
ΔH_f, kcal/mol:	-132.04
Dipole, Da:	13.05
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)-2-chloroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C/4\C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations