Geometry & MOs

Info

ID:	107660
PubChem CID:	50213386
Reduced:	O5N6C31H42 (1)
Stoich.:	A5B6C31D42 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-218.5
Dipole, Da:	8.37
IP(EA), eV:	-8.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations