Geometry & MOs

Info

ID:	107522
PubChem CID:	50206959
Reduced:	ClO4N5C36H48 (1)
Stoich.:	AB4C5D36E48 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-191.95
Dipole, Da:	8.34
IP(EA), eV:	-9.01(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C)C

DOS

IR

Vibrations