Geometry & MOs

Info

ID:	203911
PubChem CID:	79890819
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	317.01637
ΔH_f, kcal/mol:	-21.2
Dipole, Da:	3.02
IP(EA), eV:	-8.27(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-bromo-4-methylphenyl)-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

CC1CCCC(C1)CCNC2=NC3=C(O2)C=CC(=C3)N

DOS

IR

Vibrations