Geometry & MOs

Info

ID:	368266
PubChem CID:	127327840
Reduced:	FON4C22H29 (1)
Stoich.:	ABC4D22E29 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	4.24
IP(EA), eV:	-9.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3(CCCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations