Geometry & MOs

Info

ID:	183890
PubChem CID:	77087387
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	279.138305
ΔH_f, kcal/mol:	-5.32
Dipole, Da:	3.28
IP(EA), eV:	-9.55(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCC3=CC=CC=N3

DOS

IR

Vibrations