Geometry & MOs

Info

ID:	251215
PubChem CID:	103102197
Reduced:	BrN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	210.184447
ΔH_f, kcal/mol:	10.93
Dipole, Da:	2.41
IP(EA), eV:	-8.88(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1=CC(=C(C=C1)C)Br

DOS

IR

Vibrations