Geometry & MOs

Info

ID:	104237
PubChem CID:	50100104
Reduced:	O3N4C29H40 (1)
Stoich.:	A3B4C29D40 (1)
Weight, g/mol:	518.185146
ΔH_f, kcal/mol:	-137.67
Dipole, Da:	7.61
IP(EA), eV:	-8.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C)C

DOS

IR

Vibrations