Geometry & MOs

Info

ID:	169799
PubChem CID:	75150757
Reduced:	SO6N9C41H61 (1)
Stoich.:	AB6C9D41E61 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-260.3
Dipole, Da:	5.76
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dihydroxyphenyl)-N-(1-phenylpropyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN2C1C(=O)NC(C(=O)NC(C(=NCC2=O)NC(C(=O)NC(C(C)C3=CC=CC=C3)C(=O)NC(CC(=O)N)C4=NC=CS4)C(C)(C)C)C(C)(C)C)C(C)C

DOS

IR

Vibrations