Geometry & MOs

Info

ID:	255869
PubChem CID:	103135292
Reduced:	BrNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	195.173548
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	7.88
IP(EA), eV:	-9.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,3-trimethyl-1-(1-methylpyrazol-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C=C2Br)C(=O)O

DOS

IR

Vibrations