Geometry & MOs

Info

ID:	181789
PubChem CID:	76792171
Reduced:	ClN2O2C28H41 (1)
Stoich.:	AB2C2D28E41 (1)
Weight, g/mol:	368.26392
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	4.79
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)piperidin-1-yl]-3-methyl-2-(3-methylbutylamino)butan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)C2=CC=C(C=C2)Cl)NCCC(CO)C3=CC=CCC3

DOS

IR

Vibrations