Geometry & MOs

Info

ID:	200775
PubChem CID:	79443068
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	321.08406
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	5.91
IP(EA), eV:	-9.26(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-(5-ethyl-2-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

C1CC(OC1)CCC(CN)C2=CC(=CC=C2)Br

DOS

IR

Vibrations