Geometry & MOs

Info

ID:	95575
PubChem CID:	50010419
Reduced:	O4N5C31H41 (1)
Stoich.:	A4B5C31D41 (1)
Weight, g/mol:	589.362805
ΔH_f, kcal/mol:	-165.09
Dipole, Da:	5.08
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations