Geometry & MOs

Info

ID:	249742
PubChem CID:	103091722
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	2.21
IP(EA), eV:	-9.4(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(C(=CC1CCOC1)C)N

DOS

IR

Vibrations