Geometry & MOs

Info

ID:	151037
PubChem CID:	53790734
Reduced:	O4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	445.284161
ΔH_f, kcal/mol:	-171.82
Dipole, Da:	7.49
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R)-2-(1H-indol-4-yl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-ylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(C)(C(=O)OC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C)O

DOS

IR

Vibrations