Geometry & MOs

Info

ID:	315223
PubChem CID:	126625119
Reduced:	O3N4C31H60 (1)
Stoich.:	A3B4C31D60 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-218.74
Dipole, Da:	5.08
IP(EA), eV:	-8.47(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-di(propan-2-yl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(CC[C@@](C)(CCC(C)(C)N1CCC(CC1)O)N2CCC(CC2)C(=O)N)CC3CN(CCO3)C(C)(C)C

DOS

IR

Vibrations