Geometry & MOs

Info

ID:	203899
PubChem CID:	79890037
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	331.03202
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	3.45
IP(EA), eV:	-8.3(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(3-bromophenyl)methyl]-2-N-methyl-1,3-benzoxazole-2,5-diamine

Drug info:

PubChemData

Smile

CC(C)CC(CO)NC1=NC2=C(O1)C=CC(=C2)N

DOS

IR

Vibrations