Geometry & MOs

Info

ID:	160257
PubChem CID:	57309603
Reduced:	BrNO4C12H20 (1)
Stoich.:	ABC4D12E20 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	-211.55
Dipole, Da:	2.58
IP(EA), eV:	-10.15(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylpropyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CCC(C1)Br)C(=O)OC

DOS

IR

Vibrations