Geometry & MOs

Info

ID:	174761
PubChem CID:	75811900
Reduced:	ClFN2O2C15H20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	434.291986
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	3.85
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[(2-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1COCCN1CC(=O)N(C)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations