Geometry & MOs

Info

ID:	203897
PubChem CID:	79890035
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	3.36
IP(EA), eV:	-8.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(3-methylphenyl)methyl]-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)CNC1=NC2=C(C=CC=C2O1)N

DOS

IR

Vibrations