Geometry & MOs

Info

ID:	266534
PubChem CID:	103569396
Reduced:	IN5C9H12 (1)
Stoich.:	AB5C9D12 (1)
Weight, g/mol:	210.184447
ΔH_f, kcal/mol:	96.93
Dipole, Da:	6.05
IP(EA), eV:	-9.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2C(=C(C=N2)I)N

DOS

IR

Vibrations