Geometry & MOs

Info

ID:	224790
PubChem CID:	85355209
Reduced:	PN2O2C25H49 (1)
Stoich.:	AB2C2D25E49 (1)
Weight, g/mol:	451.08954
ΔH_f, kcal/mol:	-227.19
Dipole, Da:	3.83
IP(EA), eV:	-8.58(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(3-bromophenyl)-6-(4-hydroxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(C)P2(=O)N(C3CCCCC3N2CC(C)(C)C)CC(C)(C)C)O

DOS

IR

Vibrations