Geometry & MOs

Info

ID:	169499
PubChem CID:	75112124
Reduced:	O5N6C29H34 (1)
Stoich.:	A5B6C29D34 (1)
Weight, g/mol:	551.310769
ΔH_f, kcal/mol:	-143.12
Dipole, Da:	4.76
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-(cyclohexanecarbonyl)-4-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CN(CCN3C(=O)C4CCNCC4)C(=O)C5=CN=CC=C5

DOS

IR

Vibrations