Geometry & MOs

Info

ID:	362695
PubChem CID:	127309129
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-53.53
Dipole, Da:	4.16
IP(EA), eV:	-9.19(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylphenoxy)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC(=O)N2CCN(CC2)C(C)C3=NC(=NO3)C

DOS

IR

Vibrations