Geometry & MOs

Info

ID:	123397
PubChem CID:	50845676
Reduced:	O4N5C20H31 (1)
Stoich.:	A4B5C20D31 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-173.42
Dipole, Da:	8.91
IP(EA), eV:	-8.13(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-1-N-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)N2CCC(CC2)C(=O)NCCOC

DOS

IR

Vibrations