Geometry & MOs

Info

ID:	49722
PubChem CID:	11533660
Reduced:	FN2O4C31H33 (1)
Stoich.:	AB2C4D31E33 (1)
Weight, g/mol:	516.382812
ΔH_f, kcal/mol:	-127.2
Dipole, Da:	6.13
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-pentyl-N-[(4-pent-1-ynylphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)OCC2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CC(=C(C=C4)CCC(=O)O)F

DOS

IR

Vibrations