Geometry & MOs

Info

ID:	248046
PubChem CID:	103078508
Reduced:	BrN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	196.132411
ΔH_f, kcal/mol:	66.16
Dipole, Da:	4.52
IP(EA), eV:	-7.92(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-(oxan-3-yl)pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NN(C=C2N)C)Br

DOS

IR

Vibrations