Geometry & MOs

Info

ID:	343353
PubChem CID:	127266526
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	259.148476
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	4.51
IP(EA), eV:	-8.8(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN2CCN(CC2)C(=O)C

DOS

IR

Vibrations