Geometry & MOs

Info

ID:	248026
PubChem CID:	103078296
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	6.33
IP(EA), eV:	-8.41(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-(2-phenoxyethyl)pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N)C1=NN(C=C1N)C

DOS

IR

Vibrations