Geometry & MOs

Info

ID:	250019
PubChem CID:	103093591
Reduced:	BrNC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	2.38
Dipole, Da:	1.83
IP(EA), eV:	-8.83(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=C(C=C(C=C1)C)Br)/C

DOS

IR

Vibrations