Geometry & MOs

Info

ID:	277334
PubChem CID:	103827932
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	337.07897
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	2.42
IP(EA), eV:	-8.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-methoxyphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CNC2CCCC3=C2C=CO3

DOS

IR

Vibrations