Geometry & MOs

Info

ID:	245904
PubChem CID:	103027235
Reduced:	BrNO2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	3.71
IP(EA), eV:	-8.67(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-2-amine

Drug info:

PubChemData

Smile

CCNC(CC1=C(C=CC(=C1)OC)Br)CC(C)(C)OC

DOS

IR

Vibrations