Geometry & MOs

Info

ID:	355986
PubChem CID:	127290976
Reduced:	O2F3N3C13H22 (1)
Stoich.:	A2B3C3D13E22 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-272.3
Dipole, Da:	2.54
IP(EA), eV:	-9.48(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NC2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations