Geometry & MOs

Info

ID:	349671
PubChem CID:	127275823
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	4.61
IP(EA), eV:	-9.49(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations