Geometry & MOs

Info

ID:	396494
PubChem CID:	135028586
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	4.04
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-methylphenyl)methyl]-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CCCCC1=C2C3=CC=CC=C3C(N2N=N1)CCC(=O)OC

DOS

IR

Vibrations