Geometry & MOs

Info

ID:	349667
PubChem CID:	127275819
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	5.61
IP(EA), eV:	-8.34(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1,3-benzodioxole-4-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CC=C2C(=O)N3CCC(CC3)CNC(=O)C4=CN(N=C4)C)C

DOS

IR

Vibrations