Geometry & MOs

Info

ID:	432566
PubChem CID:	135172699
Reduced:	O3N4H30C32 (1)
Stoich.:	A3B4C30D32 (1)
Weight, g/mol:	522.263091
ΔH_f, kcal/mol:	4.26
Dipole, Da:	5.12
IP(EA), eV:	-8.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9H-carbazol-3-yloxy)-1-[4-[1-hydroxy-2-[(5E)-6-methyl-1,4-dihydro-2,4-benzodiazocin-1-yl]ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C5=CC6=C(C=C5)C7=CC=CC=C7O6

DOS

IR

Vibrations