Geometry & MOs

Info

ID:	310367
PubChem CID:	126579300
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	312.01095
ΔH_f, kcal/mol:	-183.21
Dipole, Da:	2.76
IP(EA), eV:	-9.67(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-6-ethoxyphenyl)methoxy]-1-hydroxypyrazole

Drug info:

PubChemData

Smile

CCN1C(=O)CC(C1=O)CN(C)CC2CC(=O)N(C2=O)C

DOS

IR

Vibrations