Geometry & MOs

Info

ID:	213058
PubChem CID:	81062701
Reduced:	BrNOC12H24 (1)
Stoich.:	ABCD12E24 (1)
Weight, g/mol:	296.115237
ΔH_f, kcal/mol:	-72.88
Dipole, Da:	1.95
IP(EA), eV:	-7.92(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-methyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCOCCN(C)CC1(CCCC1)CBr

DOS

IR

Vibrations