Geometry & MOs

Info

ID:	27911
PubChem CID:	824125
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	342.136828
ΔH_f, kcal/mol:	-34.21
Dipole, Da:	2.84
IP(EA), eV:	-10.31(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)CC2=NOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations