Geometry & MOs

Info

ID:	123398
PubChem CID:	50845677
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	7.9
IP(EA), eV:	-8.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)N3CCC(CC3)C(=O)NC4CC4)C

DOS

IR

Vibrations