Geometry & MOs

Info

ID:	16010
PubChem CID:	457811
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	3.97
IP(EA), eV:	-9.14(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylamino)-3a-ethyl-3-methyl-6H-pyrrolo[2,3-d][1,2]oxazol-6a-ol

Drug info:

PubChemData

Smile

CCC12C(=NOC1(CC(=N2)N(C)C)O)C

DOS

IR

Vibrations