Geometry & MOs

Info

ID:	275805
PubChem CID:	103817915
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	331.03202
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	4.92
IP(EA), eV:	-8.19(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromofuran-2-yl)methyl]-3-(pyrazol-1-ylmethyl)aniline

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=CC=C(C=C2)OCC(=O)N

DOS

IR

Vibrations