Geometry & MOs

Info

ID:	170868
PubChem CID:	75289153
Reduced:	Cl2O5N9H31C36 (1)
Stoich.:	A2B5C9D31E36 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	6.54
IP(EA), eV:	-9.26(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpiperidine-1-carbonyl)-4-methylphenyl]-N',N'-dimethylbutanediamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=CC(=C5)C(=O)NCC(=O)N)C6=CC(=CC(=C6)Cl)Cl)CC7=CC=C(C=C7)C#N

DOS

IR

Vibrations