Geometry & MOs

Info

ID:	280853
PubChem CID:	103851614
Reduced:	BrN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	52.24
Dipole, Da:	1.85
IP(EA), eV:	-9.1(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNC2CCC3=C2C=CC=C3Br)C

DOS

IR

Vibrations